SCHEMBL2623930

SCHEMBL2623930

Brc1csc(N2CCCC2)n1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
AR P10275 7/20 0.50
TP53 P04637 1/20 0.50
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 1/20 0.50
NPC1 O15118 6/20 0.45
MAPT P10636 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
PIK3CG P48736 1/20 0.37

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
SCHEMBL2624023 0.98 RAB9A (0.58) RAB9ASMN1; SMN2ARTP53ALOX15
SCHEMBL30756603 0.96 RAB9A (0.51) RAB9ASMN1; SMN2ARTP53ALOX15
SCHEMBL28657476 0.84 AR (0.54) RAB9ASMN1; SMN2ARTP53ALOX15
SCHEMBL12288858 0.84 SMN1; SMN2 (0.41) RAB9ASMN1; SMN2ARTP53ALOX15
SCHEMBL5416355 0.82 CHRNB2 (0.42) RAB9ASMN1; SMN2ARHSD17B10NPC1
SCHEMBL1168974 0.82 ALDH1A1 (0.53) RAB9ASMN1; SMN2ARNPC1MAPT
SCHEMBL2698786 0.82 NPC1 (0.60) RAB9ASMN1; SMN2ARNPC1MAPT
SCHEMBL3159092 0.82 CHRNB2 (0.42) RAB9ASMN1; SMN2ARHSD17B10NPC1
SCHEMBL2224078 0.81 RAB9A (0.40) RAB9ASMN1; SMN2ARTP53ALOX15
SCHEMBL28649670 0.80 RAB9A (0.39) RAB9ASMN1; SMN2ARTP53ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3860994-B1 TRANSCRIPTION FACTOR BRN2 INHIBITORY COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE UNIV BRITISH COLUMBIA (CA) 2024-08-14 EP disclosed
EP-3313828-B1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-07-12 EP disclosed
US-20220106304-A1 Transcription Factor BRN2 Inhibitory Compounds as Therapeutics and Methods for Their Use THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2022-04-07 US disclosed
US-10227331-B2 Metallo-β-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2019-03-12 US disclosed
US-20180179190-A1 METALLO-BETA-LACTAMASE INHIBITORS Marck Sharp & Dohme Corp. (US) 2018-06-28 US disclosed
EP-3313828-A1 METALLO-BETA-LACTAMASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2018-05-02 EP disclosed
WO-2016210234-A1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-12-29 WO disclosed
US-20120101032-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-26 US disclosed
US-20120101032-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-26 US disclosed
WO-2012054874-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-26 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 (4 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-20120101032-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, EIF4A2 RAB9A 2748/4885SMN1; SMN2 3748/4885AR 2910/4885
US-10227331-B2 Metallo-β-lactamase inhibitors ALPI, GAA, ZFX RAB9A 442/4885SMN1; SMN2 1991/4885AR 2627/4885
US-20220106304-A1 Transcription Factor BRN2 Inhibitory Compounds as Therapeutics and Methods for Their Use BRDT, CBFB, CREBBP RAB9A 3925/4885SMN1; SMN2 2370/4885AR 2197/4885
US-20180179190-A1 METALLO-BETA-LACTAMASE INHIBITORS ALPI, GAA, ZFX RAB9A 463/4885SMN1; SMN2 2007/4885AR 2722/4885

“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.