SCHEMBL4077406

SCHEMBL4077406

O=[N+]([O-])c1ccccc1NC1CCC1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.62
HCAR3 P49019 3/20 0.60
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
ALDH1A1 P00352 4/20 0.56
GAA P10253 2/20 0.56
MAPT P10636 4/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
WNK1 Q9H4A3 2/20 0.50
CASP7 P55210 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
TP53 P04637 1/20 0.49
LMNA P02545 3/20 0.49
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 1/20 0.47

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
SCHEMBL30936592 0.97 MAPK1 (0.62) MAPK1HCAR3MEN1KMT2AALDH1A1
SCHEMBL2930805 0.97 MAPK1 (0.62) MAPK1HCAR3MEN1KMT2AALDH1A1
SCHEMBL541921 0.95 KMT2A (0.64) MAPK1HCAR3MEN1KMT2AALDH1A1
SCHEMBL718625 0.93 MAPK1 (0.65) MAPK1HCAR3MEN1KMT2AALDH1A1
SCHEMBL11901520 0.87 MAPK1 (0.59) MAPK1HCAR3MEN1KMT2AALDH1A1
SCHEMBL30673839 0.87 MAPK1 (0.59) MAPK1HCAR3MEN1KMT2AALDH1A1
SCHEMBL22725494 0.87 HCAR3 (0.51) MAPK1HCAR3MEN1KMT2AALDH1A1
SCHEMBL22725390 0.87 HCAR3 (0.51) MAPK1HCAR3MEN1KMT2AALDH1A1
SCHEMBL22725481 0.87 HCAR3 (0.51) MAPK1HCAR3MEN1KMT2AALDH1A1
SCHEMBL15585727 0.87 MAPK1 (0.50) MAPK1HCAR3MEN1KMT2AALDH1A1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023250439-A1 TREX1 INHIBITORS AND USES THEREOF TEMPEST THERAPEUTICS, INC. (US) 2023-12-28 WO disclosed
WO-2023250399-A1 TREX1 INHIBITORS AND USES THEREOF TEMPEST THERAPEUTICS, INC. (US) 2023-12-28 WO disclosed
US-20230234943-A1 TREX1 INHIBITORS AND USES THEREOF TEMPEST THERAPEUTICS, INC. 2023-07-27 US disclosed
US-20230234943-A1 TREX1 INHIBITORS AND USES THEREOF TEMPEST THERAPEUTICS, INC. 2023-07-27 US disclosed
WO-2021263079-A1 TREX1 INHIBITORS AND USES THEREOF TEMPEST THERAPEUTICS, INC. (US) 2021-12-30 WO disclosed
US-11174245-B2 Benzimidazole compounds and derivatives as EGFR inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-11-16 US disclosed
US-20200377476-A1 NEW BENZIMIDAZOLE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-12-03 US disclosed
WO-2020216378-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME 健艾仕生物医药有限公司 2020-10-29 WO disclosed
WO-2018118868-A1 TRIAZOLE DERIVATIVES AS TANKYRASE INHIBITORS OSLO UNIVERSITY HOSPITAL HF (NO) 2018-06-28 WO disclosed
US-20090099164-A1 Phenylaminopropanol Derivatives and Methods of Their Use WYETH (US) 2009-04-16 US disclosed
US-7517899-B2 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2009-04-14 US disclosed
US-20090093469-A1 Phenylaminopropanol Derivatives and Methods of Their Use WYETH (US) 2009-04-09 US disclosed
EP-1732887-B1 1-(1H-INDOL-1-YL)-3-(4-METHYLPIPERAZIN-1-YL)-1-PHENYL PROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE NOREPINEPHRINE (NE) AND THE SEROTONINE (5-HT) ACTIVITY AND THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) WYETH CORP (US) 2008-01-09 EP disclosed
US-20050222148-A1 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2005-10-06 US 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 (6 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-20230234943-A1 TREX1 INHIBITORS AND USES THEREOF FEN1, ERCC4, DCLRE1B MAPK1 3534/4885HCAR3 3323/4885MEN1 2245/4885
US-20090099164-A1 Phenylaminopropanol Derivatives and Methods of Their Use PAH, PNMT, COMT MAPK1 1136/4885HCAR3 1891/4885MEN1 2681/4885
US-20050222148-A1 Phenylaminopropanol derivatives and methods of their use PAH, PNMT, COMT MAPK1 1136/4885HCAR3 1891/4885MEN1 2681/4885
US-20200377476-A1 NEW BENZIMIDAZOLE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS EGFR, ERBB2, ERBB3 MAPK1 214/4885HCAR3 2535/4885MEN1 2128/4885
US-11174245-B2 Benzimidazole compounds and derivatives as EGFR inhibitors EGFR, ERBB2, ERBB3 MAPK1 230/4885HCAR3 2501/4885MEN1 1569/4885
US-20090093469-A1 Phenylaminopropanol Derivatives and Methods of Their Use PAH, PNMT, COMT MAPK1 1136/4885HCAR3 1891/4885MEN1 2681/4885

“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.