SCHEMBL3835940

SCHEMBL3835940

Cc1ccc2cc(C)c(Cl)nc2c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.62
NPSR1 Q6W5P4 1/20 0.62
ALDH1A1 P00352 4/20 0.61
CYP1A2 P05177 3/20 0.52
KDM4E B2RXH2 2/20 0.51
MEN1 O00255 2/20 0.51
MAPT P10636 1/20 0.51
PABPC1 P11940 1/20 0.51
HSD17B10 Q99714 1/20 0.47
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDR P35968 5/20 0.45
NCK1 P16333 1/20 0.42
BACE1 P56817 1/20 0.42
CYP2A6 P11509 1/20 0.42
NQO2 P16083 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL3835603 0.83 CYP1A2 (0.50) KMT2ANPSR1ALDH1A1CYP1A2KDM4E
SCHEMBL8302695 0.83 POLB (0.48) KMT2ANPSR1ALDH1A1CYP1A2KDM4E
SCHEMBL22509749 0.83 KMT2A (0.62) KMT2ANPSR1ALDH1A1CYP1A2KDM4E
SCHEMBL12970077 0.80 KMT2A (0.42) KMT2ANPSR1ALDH1A1CYP1A2KDM4E
SCHEMBL22509835 0.80 KMT2A (0.59) KMT2ANPSR1ALDH1A1CYP1A2KDM4E
SCHEMBL29911266 0.80 BACE1 (0.46) KMT2ANPSR1ALDH1A1CYP1A2KDM4E
SCHEMBL3614209 0.80 BACE1 (0.46) KMT2ANPSR1ALDH1A1CYP1A2KDM4E
SCHEMBL30908292 0.80 KMT2A (0.59) KMT2ANPSR1ALDH1A1CYP1A2KDM4E
SCHEMBL862486 0.78 ALDH1A1 (0.56) KMT2ANPSR1ALDH1A1CYP1A2KDM4E
SCHEMBL6033527 0.77 ALDH1A1 (0.64) KMT2AALDH1A1CYP1A2KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9751897-B1 Derivatives of Bodipy OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-09-05 US disclosed
WO-2017139689-A1 DERIVATIVES OF BODIPY OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-08-17 WO disclosed
US-20170233414-A1 DERIVATIVES OF BODIPY OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-08-17 US disclosed
EP-2064180-B1 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS MERCK SHARP & DOHME (US) 2016-07-13 EP disclosed
US-9023489-B2 Red phosphorescent compounds and organic electroluminescent devices using the same LG DISPLAY CO., LTD. (KR) 2015-05-05 US disclosed
US-9023489-B2 Red phosphorescent compounds and organic electroluminescent devices using the same LG DISPLAY CO., LTD. (KR) 2015-05-05 US disclosed
US-9023489-B2 Red phosphorescent compounds and organic electroluminescent devices using the same LG DISPLAY CO., LTD. (KR) 2015-05-05 US disclosed
US-8557848-B2 4,5-ring annulated indole derivatives for treating or preventing of HCV and related viral infections MERCK SHARP & DOHME CORP. (US) 2013-10-15 US disclosed
US-20100098661-A1 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS SCHERING CORPORATION 2010-04-22 US disclosed
EP-1783132-B1 Red phosphorescent compounds and organic electromuninescent devices using the same LG DISPLAY CO LTD (KR) 2009-10-14 EP disclosed
US-20070104980-A1 Red phosphorescent compounds and organic electroluminescent devices using the same LG DISPLAY CO., LTD. (KR) 2007-05-10 US disclosed
US-20070104980-A1 Red phosphorescent compounds and organic electroluminescent devices using the same LG DISPLAY CO., LTD. (KR) 2007-05-10 US disclosed
US-20070104980-A1 Red phosphorescent compounds and organic electroluminescent devices using the same LG DISPLAY CO., LTD. (KR) 2007-05-10 US disclosed
EP-1783132-A1 Red phosphorescent compounds and organic electromuninescent devices using the same LG Electronics Inc. (KR) 2007-05-09 EP disclosed
EP-1783132-A1 Red phosphorescent compounds and organic electromuninescent devices using the same LG Electronics Inc. (KR) 2007-05-09 EP 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 (2 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-20170233414-A1 DERIVATIVES OF BODIPY NPC1L1, NPC1, ABCB4 KMT2A 4438/4885NPSR1 3763/4885ALDH1A1 2043/4885
US-20100098661-A1 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS ZC3HAV1, IDO1, ZC3HAV1L KMT2A 2179/4885NPSR1 2662/4885ALDH1A1 248/4885

“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.