SCHEMBL3460165

SCHEMBL3460165

Brc1cccc(NCCc2ccccc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.63
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
TAAR1 Q96RJ0 2/20 0.51
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
MAPT P10636 4/20 0.49
ALDH1A1 P00352 3/20 0.49
ALOX12 P18054 3/20 0.49
LMNA P02545 3/20 0.49
BRD4 O60885 1/20 0.48
CCNC P24863 1/20 0.48
CDK8 P49336 1/20 0.48
SIGMAR1 Q99720 1/20 0.47
KDM4E B2RXH2 1/20 0.46
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
GPR84 Q9NQS5 1/20 0.46
HDAC1 Q13547 2/20 0.45
PLAAT5 Q96KN8 1/20 0.45

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
SCHEMBL1965560 0.81 FFAR1 (0.51) MEN1KMT2AALDH1A1KDM4EFFAR1
SCHEMBL11115431 0.81 ALDH1A1 (0.65) L3MBTL1MEN1KMT2AMAPTALDH1A1
SCHEMBL24375975 0.80 L3MBTL1 (0.95) L3MBTL1RAB9ANPC1TAAR1MEN1
SCHEMBL21186859 0.80 L3MBTL1 (0.95) L3MBTL1RAB9ANPC1TAAR1MEN1
SCHEMBL88597 0.80 L3MBTL1 (0.95) L3MBTL1RAB9ANPC1TAAR1MEN1
SCHEMBL3903471 0.80 L3MBTL1 (0.66) L3MBTL1RAB9ANPC1TAAR1MEN1
SCHEMBL9528217 0.79 L3MBTL1 (0.70) L3MBTL1RAB9ATAAR1MAPTALDH1A1
SCHEMBL707113 0.79 L3MBTL1 (0.70) L3MBTL1RAB9ANPC1TAAR1MAPT
SCHEMBL2762378 0.79 L3MBTL1 (0.63) L3MBTL1RAB9ANPC1TAAR1MAPT
SCHEMBL3415388 0.79 L3MBTL1 (0.63) L3MBTL1RAB9ANPC1TAAR1MEN1

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
EP-1501514-B1 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2012-12-19 EP disclosed
US-7704995-B2 Protein kinase modulators and methods of use EXELIXIS, INC. (US) 2010-04-27 US disclosed
EP-1501514-A4 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2009-08-26 EP disclosed
EP-2018364-A1 THERAPEUTIC FLUOROETHYL UREAS Allergan, Inc. (US) 2009-01-28 EP disclosed
WO-2007137029-A1 THERAPEUTIC FLUOROETHYL UREAS ALLERGAN, INC. (US) 2007-11-29 WO disclosed
US-20060211709-A1 Protein kinase modulators and methods of use EXELIXIS, INC. 2006-09-21 US disclosed
EP-1501514-A2 PROTEIN KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2005-02-02 EP disclosed
WO-2003093297-A2 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2003-11-13 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 (1 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-20060211709-A1 Protein kinase modulators and methods of use GRK2, MAP4K2, MAPKAPK2 L3MBTL1 2736/4885RAB9A 2909/4885NPC1 4361/4885

“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.