SCHEMBL1958372

SCHEMBL1958372

Clc1ccc(Cn2ccc3nc(-c4cccc(Br)c4)nc-3c2)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 3/20 0.42
HTT P42858 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KDR P35968 1/20 0.40
CYP11B1 P15538 1/20 0.38
ADRA2C P18825 1/20 0.38
CYP11B2 P19099 1/20 0.38
PHF8 Q9UPP1 1/20 0.38
AHR P35869 1/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
NR1I3 Q14994 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL1960207 0.89 AHR (0.39) KMT2ATSHRLMNAHTTSMN1; SMN2
SCHEMBL1959850 0.89 AHR (0.43) KMT2ATSHRLMNAHTTSMN1; SMN2
SCHEMBL1960189 0.87 NPC1 (0.47) KMT2ATSHRMAPK1HSD17B10LMNA
SCHEMBL1958374 0.86 AHR (0.38) KMT2ATSHRLMNAHTTSMN1; SMN2
SCHEMBL1958995 0.82 HDAC1 (0.38) KMT2ALMNAHTTSMN1; SMN2NPC1
SCHEMBL1962139 0.82 CYP11B1 (0.48) KMT2ALMNAHTTSMN1; SMN2CYP11B1
SCHEMBL1959831 0.79 CYP11B1 (0.42) LMNANPC1RAB9ACYP11B1CYP11B2
SCHEMBL1960665 0.79 SMN1; SMN2 (0.44) KMT2ATSHRMAPK1HSD17B10LMNA
SCHEMBL1960628 0.79 CYP11B1 (0.37) KMT2ALMNAHTTSMN1; SMN2KDR
SCHEMBL1959006 0.79 RAB9A (0.40) KMT2ATSHRMAPK1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8779141-B2 Viral inhibitors GILEAD SCIENCES, INC. (US) 2014-07-15 US disclosed
EP-1521754-B1 VIRAL INHIBITORS LEUVEN K U RES & DEV (BE) 2011-08-31 EP disclosed
EP-2332938-A1 Viral inhibitors K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2011-06-15 EP disclosed
US-7737162-B2 Viral inhibitors GILEAD SCIENCES, INC. (US) 2010-06-15 US disclosed
US-20100004281-A1 VIRAL INHIBITORS GILEAD SCIENCES, INC. 2010-01-07 US disclosed
US-20050239821-A1 Viral inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2005-10-27 US disclosed
EP-1521754-A2 VIRAL INHIBITORS K.U.Leuven Research & Development (BE) 2005-04-13 EP disclosed
WO-2004005286-A2 VIRAL INHIBITORS K.U.LEUVEN RESEARCH & DEVELOPMENT (BE) 2004-01-15 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 (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-20100004281-A1 VIRAL INHIBITORS ZC3HAV1, MAVS, HAVCR2 KMT2A 2253/4885TSHR 4568/4885MAPK1 1257/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE KMT2A 2178/4885TSHR 4622/4885MAPK1 1412/4885

“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.