SCHEMBL2351650

SCHEMBL2351650

CCOC(=O)c1[nH]c2ccc(I)cc2c1I

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.60
▸ GABRG2 P18507 1/20 0.60
▸ GABRB3 P28472 1/20 0.60
▸ GABRA5 P31644 1/20 0.60
▸ GABRA3 P34903 1/20 0.60
▸ GABRA2 P47869 1/20 0.60
▸ GABRA4 P48169 1/20 0.60
▸ GABRA6 Q16445 1/20 0.60
▸ KDM4E B2RXH2 9/20 0.56
▸ ALDH1A1 P00352 8/20 0.56
▸ MAPT P10636 3/20 0.56
▸ RAB9A P51151 3/20 0.56
▸ GAA P10253 3/20 0.56
▸ NPC1 O15118 2/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ TP53 P04637 1/20 0.56
▸ HPGD P15428 6/20 0.54
▸ CYP1A2 P05177 1/20 0.49
▸ XBP1 P17861 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49

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
SCHEMBL830378 0.89 ALDH1A1 (0.71) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL830073 0.87 KDM4E (0.54) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1259124 0.87 KDM4E (0.61) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL26213303 0.86 KMT2A (0.56) KDM4EALDH1A1MAPTRAB9AGAA
SCHEMBL829181 0.86 ALDH1A1 (0.66) KDM4EALDH1A1MAPTRAB9AGAA
SCHEMBL333983 0.86 ALDH1A1 (0.53) GABRA1GABRA3KDM4EALDH1A1MAPT
SCHEMBL27385781 0.84 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7086632 0.83 ALDH1A1 (0.58) KDM4EALDH1A1MAPTRAB9AGAA
SCHEMBL2724382 0.82 KDM4E (0.63) KDM4EALDH1A1MAPTRAB9AGAA
SCHEMBL30797259 0.82 KDM4E (0.63) KDM4EALDH1A1MAPTRAB9AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2731948-B1 NOVEL SUBSTITUTED INDOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICALS INC (US) 2015-09-09 — — EP disclosed
US-9115143-B2 Substituted indole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-08-25 — — US disclosed
US-9115143-B2 Substituted indole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-08-25 — — US disclosed
US-20140148450-A1 NOVEL SUBSTITUTED INDOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-05-29 — — US disclosed
US-20140148450-A1 NOVEL SUBSTITUTED INDOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-05-29 — — US disclosed
WO-2013010904-A1 NOVEL SUBSTITUTED INDOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS Janssen Pharmaceuticals, Inc. (US) 2013-01-24 — — WO disclosed
US-8008295-B2 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2011-08-30 — — US disclosed
EP-1534695-B1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME (US) 2010-09-29 — — EP disclosed
US-20100041652-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-02-18 — — US disclosed
US-20090186871-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2009-07-23 — — US disclosed
EP-1534695-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2008-06-11 — — EP disclosed
US-20080008708-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2008-01-10 — — US disclosed
EP-1534268-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2006-11-02 — — EP disclosed
US-20060128783-A1 Tyrosine kinase inhibitors DINSMORE CHRISTOPHER J 2006-06-15 — — US disclosed
US-20050261496-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME LLC 2005-11-24 — — US disclosed
EP-1534268-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2005-06-01 — — EP disclosed
EP-1534695-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2005-06-01 — — EP disclosed
US-20040102360-A1 Combination therapy BARNETT STANLEY F (US) 2004-05-27 — — US disclosed
WO-2004014851-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2004-02-19 — — WO disclosed
WO-2004014300-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2004-02-19 — — 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-20140148450-A1 NOVEL SUBSTITUTED INDOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APP GABRA1 857/4885GABRG2 821/4885GABRB3 255/4885
US-20060128783-A1 Tyrosine kinase inhibitors ABL1, ERBB2, JAK2 GABRA1 1256/4885GABRG2 1458/4885GABRB3 1776/4885
US-20050261496-A1 Tyrosine kinase inhibitors ABL1, JAK2, ERBB2 GABRA1 1230/4885GABRG2 1339/4885GABRB3 1567/4885
US-20040102360-A1 Combination therapy MTOR, AKT2, PLK1 GABRA1 4513/4885GABRG2 4280/4885GABRB3 4320/4885
US-20080008708-A1 Tyrosine kinase inhibitors ABL1, ERBB2, JAK2 GABRA1 1256/4885GABRG2 1458/4885GABRB3 1776/4885
US-20090186871-A1 Tyrosine kinase inhibitors ABL1, JAK2, ERBB2 GABRA1 1230/4885GABRG2 1339/4885GABRB3 1567/4885
US-20100041652-A1 TYROSINE KINASE INHIBITORS ABL1, ERBB2, JAK2 GABRA1 1256/4885GABRG2 1458/4885GABRB3 1776/4885

“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.

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