SCHEMBL123151

SCHEMBL123151

C1=C2CCCCCC2CCCC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.48
MAPT P10636 1/20 0.36
HSD11B1 P28845 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
NPC1 O15118 1/20 0.33
EPHX1 P07099 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CCR2 P41597 1/20 0.32
HIF1A Q16665 1/20 0.32
TLR4 O00206 1/20 0.31
NUDT1 P36639 1/20 0.30
BACE1 P56817 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9479135 1.00 KDM1A (0.48) KDM1AMAPTHSD11B1HDAC1HDAC2
SCHEMBL693557 1.00 KDM1A (0.48) KDM1AMAPTHSD11B1HDAC1HDAC2
SCHEMBL216035 1.00 KDM1A (0.48) KDM1AMAPTHSD11B1HDAC1HDAC2
SCHEMBL8361882 1.00 KDM1A (0.48) KDM1AMAPTHSD11B1HDAC1HDAC2
SCHEMBL20552191 1.00 KDM1A (0.48) KDM1AMAPTHSD11B1HDAC1HDAC2
SCHEMBL235344 1.00 KDM1A (0.48) KDM1AMAPTHSD11B1HDAC1HDAC2
SCHEMBL6682662 1.00 KDM1A (0.48) KDM1AMAPTHSD11B1HDAC1HDAC2
SCHEMBL5699292 1.00 KDM1A (0.48) KDM1AMAPTHSD11B1HDAC1HDAC2
SCHEMBL1053630 1.00 KDM1A (0.48) KDM1AMAPTHSD11B1HDAC1HDAC2
SCHEMBL11552545 1.00 KDM1A (0.48) KDM1AMAPTHSD11B1HDAC1HDAC2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 264 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10647687-B2 Spiropyrazine derivatives as inhibitors of non-apoptotic regulated cell-death HELMHOLTZ ZENTRUM MÜNCHEN DEUTSCHES FORSCHUNGSZENTRUM FÜR GESUNDHEIT UND UMWELT (GMBH) (DE) 2020-05-12 US disclosed
US-20180362475-A1 SPIROPYRAZINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH HELMHOLTZ ZENTRUM MÜNCHEN DEUTSCHES FORSCHUNGSZENTRUM FÜR GESUNDHEIT UND UMWELT (GMBH) (DE) 2018-12-20 US disclosed
US-10117878-B2 Ligands for nematode nuclear receptors and uses thereof BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM (US) 2018-11-06 US disclosed
US-9856219-B2 Substituted quinoline compounds as S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2018-01-02 US disclosed
EP-3247715-A1 METHODS OF PREVENTING, REDUCING OR TREATING MACULAR DEGENERATION Inotek Pharmaceuticals Corporation (US) 2017-11-29 EP disclosed
US-9814700-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents NIVALIS THERAPEUTICS, INC. (US) 2017-11-14 US disclosed
EP-3217982-A1 SPIROPYRAZINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH Helmholtz Zentrum München Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) 2017-09-20 EP disclosed
US-9707212-B2 S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2017-07-18 US disclosed
US-20170049750-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents LAUREL THERAPEUTICS LTD. (CN) 2017-02-23 US disclosed
US-20160367586-A1 COMBINATION, KIT AND METHOD OF REDUCING INTRAOCULAR PRESSURE INOTEK PHARMACEUTICALS CORPORATION 2016-12-22 US disclosed
US-20050288271-A1 Arylsulfonamides and uses related thereto AMGEN INC. (US) 2005-12-29 US disclosed
US-20050282768-A1 Purine derivatives as adenosine A1 receptor agonists and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION 2005-12-22 US disclosed
WO-2005118538-A2 ARYLSULFONAMIDES AND USES AS HYDROXYSTEROID DEHYDROGENASE AMGEN, INC. (US) 2005-12-15 WO disclosed
US-20050277649-A1 Aryl sulfonamide compounds and uses related thereto AMGEN SF, LLC (US) 2005-12-15 US disclosed
US-20050277665-A1 e.g. 1,1,1-trifluoro-2-[4-(toluene-2-sulfonyl)phenyl]-propan-2-ol; hydroxysteroid dehydrogenases inhibitor; interconversion between cortisone and cortisol in humans; antidiabetic agent; obesity, insulin resistance, non-insulin -dependent diabetes AMGEN INC. 2005-12-15 US disclosed
WO-2005117910-A2 PURINE DERIVATIVES AS ADENOSINE A1 RECEPTOR AGONISTS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2005-12-15 WO disclosed
WO-2005110980-A2 ARYL SULFONES AND USES RELATED THERETO AMGEN, INC. (US) 2005-11-24 WO disclosed
WO-2005063247-A1 ARYL SULFONAMIDE COMPOUNDS AND USES RELATED THERETO AMGEN INC. (US) 2005-07-14 WO disclosed
WO-2005054406-A1 ADDITIVE COMPONENTS FOR LIQUID CRYSTALLINE MATERIALS ROLIC AG (CH) 2005-06-16 WO disclosed
WO-2005051942-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2005-06-09 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050282768-A1 Purine derivatives as adenosine A1 receptor agonists and methods of use thereof ADORA2A, ADORA1, ADORA3 KDM1A 2670/4885MAPT 4595/4885HSD11B1 3212/4885
US-10117878-B2 Ligands for nematode nuclear receptors and uses thereof NR4A1, NR0B1, NR1H2 KDM1A 2231/4885MAPT 4726/4885HSD11B1 753/4885
US-10647687-B2 Spiropyrazine derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 KDM1A 4013/4885MAPT 3617/4885HSD11B1 1236/4885
US-20170049750-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR KDM1A 1944/4885MAPT 3482/4885HSD11B1 274/4885
US-20160367586-A1 COMBINATION, KIT AND METHOD OF REDUCING INTRAOCULAR PRESSURE PTGIR, ADORA1, PDE3A KDM1A 1060/4885MAPT 4697/4885HSD11B1 1531/4885
US-20050288271-A1 Arylsulfonamides and uses related thereto ARSA, STS, SULT2A1 KDM1A 2460/4885MAPT 4435/4885HSD11B1 162/4885
US-20050277649-A1 Aryl sulfonamide compounds and uses related thereto SULT2A1, ARSA, SULT1A1 KDM1A 677/4885MAPT 3890/4885HSD11B1 289/4885
US-20180362475-A1 SPIROPYRAZINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 KDM1A 4013/4885MAPT 3617/4885HSD11B1 1236/4885
US-20050277665-A1 e.g. 1,1,1-trifluoro-2-[4-(toluene-2-sulfonyl)phenyl]-propan-2-ol; hydroxysteroid dehydrogenases inhibitor; interconversion between cortisone and cortisol in humans; antidiabetic agent; obesity, insulin resistance, non-insulin -dependent diabetes HSD17B1, HSD3B1, HSD11B1 KDM1A 3313/4885MAPT 3890/4885HSD11B1 3/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.