SCHEMBL3337159

SCHEMBL3337159

Brc1ccc(-c2nc3ccccc3[nH]2)o1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.58
MMP9 P14780 1/20 0.58
MMP8 P22894 1/20 0.58
MMP13 P45452 1/20 0.58
NPC1 O15118 14/20 0.58
RAB9A P51151 14/20 0.58
ALDH1A1 P00352 11/20 0.58
SMN1; SMN2 Q16637 10/20 0.58
KDM4E B2RXH2 9/20 0.58
TP53 P04637 7/20 0.58
PKM P14618 6/20 0.58
HSD17B10 Q99714 5/20 0.58
NPSR1 Q6W5P4 3/20 0.58
ABCB11 O95342 1/20 0.58
MAPT P10636 6/20 0.57
POLB P06746 5/20 0.57
TSHR P16473 4/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
CYP1A2 P05177 3/20 0.57

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
SCHEMBL8344938 0.88 NPC1 (0.69) MMP2MMP9MMP8MMP13NPC1
SCHEMBL11314470 0.80 NPC1 (0.66) MMP2MMP9MMP8MMP13NPC1
SCHEMBL18890639 0.80 MMP2 (0.58) MMP2MMP9MMP8MMP13NPC1
SCHEMBL3337969 0.78 MAPT (0.49) MMP2MMP9MMP8MMP13NPC1
SCHEMBL17821446 0.76 MMP2 (0.58) MMP2MMP9MMP8MMP13NPC1
SCHEMBL17821350 0.76 MMP2 (0.55) MMP2MMP9MMP8MMP13NPC1
SCHEMBL1799546 0.76 MAPT (0.50) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL1799548 0.76 ESR1 (0.59) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL30634854 0.75 NPC1 (1.00) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL172216 0.75 NPC1 (1.00) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160310528-A1 Castration-Resistant Prostate Cancer NUTECH VENTURES 2016-10-27 US disclosed
US-20160310528-A1 Castration-Resistant Prostate Cancer NUTECH VENTURES 2016-10-27 US disclosed
US-8198307-B2 Imidazole derivatives having aryl piperidine substituent, method for preparation thereof and pharmaceutical compositions containing same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-06-12 US disclosed
US-20100145054-A1 IMIDAZOLE DERIVATIVES HAVING ARYL PIPERIDINE SUBSTITUENT, METHOD FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-06-10 US disclosed
CN-101434601-A 2-furyl-1H-benzimidazole-4-acidamide type derivative UNIV SHANGHAI JIAOTONG (CN) 2009-05-20 CN 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-20160310528-A1 Castration-Resistant Prostate Cancer UGDH, G6PD, DPYD MMP2 1390/4885MMP9 1515/4885MMP8 2849/4885
US-20100145054-A1 IMIDAZOLE DERIVATIVES HAVING ARYL PIPERIDINE SUBSTITUENT, METHOD FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME TYR, MCHR1, MCHR2 MMP2 3944/4885MMP9 3377/4885MMP8 4476/4885

“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.