Sugi Predict

Sugi Predict / Compounds / SCHEMBL1586533

SCHEMBL1586533

SCHEMBL1586533

Cc1c(C)n(C)c2ccc(C(=O)O)cc12

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.61
▸ MAPT P10636 11/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ ALDH1A1 P00352 3/20 0.54
▸ HPGD P15428 2/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ MAPK1 P28482 2/20 0.53
▸ TBXAS1 P24557 1/20 0.53
▸ GAA P10253 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ RAD52 P43351 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ NPC1 O15118 1/20 0.50
▸ POLB P06746 1/20 0.48

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
SCHEMBL7662422 0.86 MAPT (0.54) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL18271397 0.84 MAPT (0.51) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL69291 0.83 KDM4E (0.83) KDM4EMAPTALDH1A1HPGDTBXAS1
Hydrochloric Acid SCHEMBL28263912 0.83 ALDH1A1 (0.53) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL21355204 0.82 MAPT (0.54) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL13808817 0.81 MAPT (0.62) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL14744847 0.81 MAPT (0.55) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL6177150 0.80 RARA (0.47) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL18966441 0.80 HPGD (0.66) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL25811417 0.80 MAPT (0.57) KDM4EMAPTMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2023-10-19 — — US disclosed
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2023-10-19 — — US disclosed
US-20230218573-A1 INDOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES GALYAN BIO INC (US) 2023-07-13 — — US disclosed
US-20230218573-A1 INDOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES GALYAN BIO INC (US) 2023-07-13 — — US disclosed
US-9932340-B2 Substituted indoles ABBVIE INC. (US) 2018-04-03 — — US disclosed
US-20170349589-A9 Substituted Indoles ABBVIE INC. (US) 2017-12-07 — — US disclosed
EP-2444120-B1 Spirocyclic amiloride analogues as ENac blockers NOVARTIS AG (CH) 2017-09-27 — — EP disclosed
US-20170174688-A1 Substituted Indoles ABBVIE INC. (US) 2017-06-22 — — US disclosed
US-9643983-B2 Treating diseases mediated by blockade of the epithelial sodium channel with pyrazine-2-carboxamide derivatives NOVARTIS AG (CH) 2017-05-09 — — US disclosed
US-9522140-B2 Aryl substituted carboxamide derivatives as calcium or sodium channel blockers RAQUALIA PHARMA INC. (JP) 2016-12-20 — — US disclosed
US-20110237572-A1 Treating diseases mediated by blockade of the epithelial sodium channel with pyrazine-2-carboxamide derivatives NOVARTIS AG (CH) 2011-09-29 — — US disclosed
WO-2011050325-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-28 — — WO disclosed
US-20110098311-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES Vertex Pharmaceuticals Incorported (US) 2011-04-28 — — US disclosed
CN-101939054-A Organic compounds NOVARTIS AG 2011-01-05 — — CN disclosed
EP-2231280-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2010-09-29 — — EP disclosed
US-20100130506-A1 Organic Compounds NOVARTIS AG 2010-05-27 — — US disclosed
WO-2009074575-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-06-18 — — WO disclosed
US-20040082079-A1 Low affinity screening method GRAFFINITY PHARMACEUTICALS AG. (DE) 2004-04-29 — — US disclosed
EP-1360489-A1 LOW AFFINITY SCREENING METHOD Graffinity Pharmaceuticals Aktiengesellschaft (DE) 2003-11-12 — — EP disclosed
WO-2002063299-A1 LOW AFFINITY SCREENING METHOD GRAFFINITY PHARMACEUTICALS AG (DE) 2002-08-15 — — 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 (7 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-20230218573-A1 INDOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES HTT, HYPK, PARK7 KDM4E 1465/4885MAPT 18/4885MEN1 3841/4885
US-20110098311-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES CFTR, SLC26A4, ABCB11 KDM4E 4481/4885MAPT 4731/4885MEN1 3122/4885
US-20170174688-A1 Substituted Indoles SUV39H2, SUV39H1, IDO1 KDM4E 68/4885MAPT 1573/4885MEN1 183/4885
US-20110237572-A1 Treating diseases mediated by blockade of the epithelial sodium channel with pyrazine-2-carboxamide derivatives SCNN1B, SCNN1A, SCNN1G KDM4E 2621/4885MAPT 3437/4885MEN1 759/4885
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 KDM4E 1156/4885MAPT 2996/4885MEN1 3549/4885
US-20170349589-A9 Substituted Indoles SUV39H2, SUV39H1, IDO1 KDM4E 68/4885MAPT 1573/4885MEN1 183/4885
US-20100130506-A1 Organic Compounds OR10J3, REN, CACNA1E KDM4E 2779/4885MAPT 2151/4885MEN1 854/4885

“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.