SCHEMBL9692091

SCHEMBL9692091

Clc1ccc(-c2nc3cc(Br)cnc3[nH]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 4/20 0.47
KDM4E B2RXH2 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
PKM P14618 1/20 0.47
MEN1 O00255 3/20 0.46
MAPT P10636 3/20 0.46
KMT2A Q03164 3/20 0.46
TP53 P04637 2/20 0.46
HSD17B10 Q99714 2/20 0.46
APP P05067 1/20 0.46
GAA P10253 1/20 0.46
NFKB1 P19838 1/20 0.46
SNCA P37840 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
MCL1 Q07820 1/20 0.46
GUSB P08236 2/20 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
SCHEMBL5259906 0.87 LMNA (0.43) NPC1RAB9ASMN1; SMN2MEN1MAPT
SCHEMBL9692300 0.86 ALDH1A1 (0.54) NPC1ALDH1A1HPGDKDM4ERAB9A
SCHEMBL4842249 0.85 NPC1 (0.55) NPC1ALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL4843784 0.85 MMP2 (0.56) NPC1ALDH1A1HPGDKDM4ERAB9A
SCHEMBL13607851 0.85 ALDH1A1 (0.47) NPC1ALDH1A1HPGDKDM4ERAB9A
SCHEMBL4839487 0.85 TBK1 (0.45) MAPTTP53GUSBTNKSTNKS2
SCHEMBL4843914 0.85 KDR (0.57) NPC1ALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL13607760 0.84 PTGES (0.51) NPC1ALDH1A1HPGDKDM4ERAB9A
SCHEMBL13607767 0.84 PTGES (0.56) ALDH1A1HPGDKDM4EMEN1MAPT
SCHEMBL4840403 0.84 AURKA (0.40) ALDH1A1SMN1; SMN2MAPTTNKSTNKS2

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-20210220408-A1 ARYL HYDROCARBON RECEPTOR ANTAGONISTS AND METHODS OF USE EDIGENE BIOTECHNOLOGY, INC. (CN) 2021-07-22 US disclosed
EP-0255217-B1 FUSED IMIDAZOHETEROCYCLIC COMPOUNDS A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1992-01-22 EP disclosed
US-4948800-A MUSCLE RELAXANTS; ANTICONVULSANTS; ANXIOLYTIC AGENTS; 3-HYDROXYALKYL-PYRIDO(4,5-B OR-C)IMIDAZOLE COMPOUNDS A. H. ROBINS COMPANY, INCORPORATED (US) 1990-08-14 US disclosed
US-4914109-A ANTICONVULSANTS, ANTIANXIETY AGENTS A. H. ROBINS COMPANY, INCORPORATED (US) 1990-04-03 US disclosed
US-4873251-A MUSCLE RELAXANTS, ANTICONVULSANTS, ANTIANXIETY AGENTS A. H. ROBINS COMPANY, INCORPORATED (US) 1989-10-10 US disclosed
US-4824951-A MUSCLE RELAXANTS, ANTICONVULSANTS, ANXIOLYTIC AGENTS A. H. ROBINS COMPANY, INCORPORATED (US) 1989-04-25 US disclosed
US-4772600-A MUSCLE RELAXANTS, ANTICONVULSANTS, ANXIOLYTIC A. H. ROBINS COMPANY, INC. (US) 1988-09-20 US disclosed
EP-0255217-A1 Fused imidazoheterocyclic compounds A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1988-02-03 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 (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-20210220408-A1 ARYL HYDROCARBON RECEPTOR ANTAGONISTS AND METHODS OF USE AHR, ARNT, ARSA NPC1 1022/4885ALDH1A1 98/4885HPGD 512/4885

“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.