SCHEMBL937589

SCHEMBL937589

Clc1cc(CN2CCCC2)ccn1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
POLB P06746 1/20 0.54
HRH3 Q9Y5N1 2/20 0.53
ALDH1A1 P00352 3/20 0.52
RECQL P46063 1/20 0.52
KDM4E B2RXH2 1/20 0.52
LOX P28300 1/20 0.52
LOXL3 P58215 1/20 0.52
LOXL2 Q9Y4K0 1/20 0.52
CXCR4 P61073 1/20 0.50
HRH4 Q9H3N8 1/20 0.48
PRMT6 Q96LA8 1/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46
HTT P42858 1/20 0.46
MBTD1 Q05BQ5 1/20 0.46
L3MBTL3 Q96JM7 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TDP1 Q9NUW8 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
SCHEMBL31669110 1.00 SMN1; SMN2 (0.54) SMN1; SMN2POLBHRH3ALDH1A1RECQL
SCHEMBL7606866 0.98 SMN1; SMN2 (0.57) SMN1; SMN2POLBHRH3ALDH1A1RECQL
SCHEMBL23358024 0.96 RECQL (0.52) SMN1; SMN2POLBHRH3ALDH1A1RECQL
SCHEMBL29944490 0.96 RECQL (0.52) SMN1; SMN2POLBHRH3ALDH1A1RECQL
SCHEMBL937665 0.85 HRH3 (0.54) SMN1; SMN2HRH3ALDH1A1RECQLKDM4E
SCHEMBL17331777 0.85 MC4R (0.54) ALDH1A1RECQLKDM4ELOXLOXL3
SCHEMBL12538821 0.85 CXCR4 (0.61) HRH3RECQLLOXLOXL3LOXL2
SCHEMBL14640057 0.84 CXCR4 (0.76) HRH3CXCR4TDP1
SCHEMBL12538740 0.82 KMT2A (0.54) ALDH1A1RECQLLOXLOXL3LOXL2
SCHEMBL12538871 0.79 CYP3A4 (0.54) SMN1; SMN2ALDH1A1RECQLKDM4E

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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858938-B2 Imidazo-fused heterocycles and uses thereof LIGAND PHARMACEUTICALS, INC. (US) 2024-01-02 US disclosed
US-11858938-B2 Imidazo-fused heterocycles and uses thereof LIGAND PHARMACEUTICALS, INC. (US) 2024-01-02 US disclosed
US-11773110-B2 Heterocycle amines and uses thereof LIGAND PHARMACEUTICALS INCORPORATED (US) 2023-10-03 US disclosed
US-11773110-B2 Heterocycle amines and uses thereof LIGAND PHARMACEUTICALS INCORPORATED (US) 2023-10-03 US disclosed
US-11773110-B2 Heterocycle amines and uses thereof LIGAND PHARMACEUTICALS INCORPORATED (US) 2023-10-03 US disclosed
US-20220119413-A1 HETEROCYCLE AMINES AND USES THEREOF CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2022-04-21 US disclosed
US-20220119413-A1 HETEROCYCLE AMINES AND USES THEREOF CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2022-04-21 US disclosed
US-11186593-B2 Heterocycle amines and uses thereof LIGAND PHARMACEUTICALS INCORPORATED (US) 2021-11-30 US disclosed
US-11186593-B2 Heterocycle amines and uses thereof LIGAND PHARMACEUTICALS INCORPORATED (US) 2021-11-30 US disclosed
US-20210038607-A1 OXADIAZOLYLTHIOPHENE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS KARUS THERAPEUTICS LIMITED (GB) 2021-02-11 US disclosed
WO-2012068546-A1 HETEROCYCLE AMINES AND USES THEREOF LIGAND PHARMACEUTICALS INCORPORATED (US) 2012-05-24 WO disclosed
WO-2012068546-A1 HETEROCYCLE AMINES AND USES THEREOF LIGAND PHARMACEUTICALS INCORPORATED (US) 2012-05-24 WO disclosed
US-20110130394-A1 PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LIMITED (GB) 2011-06-02 US disclosed
EP-2315761-A1 PHARMACEUTICAL COMPOUNDS Sentinel Oncology Limited (GB) 2011-05-04 EP disclosed
WO-2011011303-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-01-27 WO disclosed
WO-2011011303-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-01-27 WO disclosed
US-20110020278-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-01-27 US disclosed
US-20110020278-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-01-27 US disclosed
US-20110020278-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-01-27 US disclosed
WO-2010007374-A1 PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LIMITED (GB) 2010-01-21 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 (7 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-20110130394-A1 PHARMACEUTICAL COMPOUNDS NR2C2, NR3C2, NR0B2 SMN1; SMN2 2784/4885POLB 2773/4885HRH3 166/4885
US-20210038607-A1 OXADIAZOLYLTHIOPHENE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC5, HDAC3 SMN1; SMN2 3345/4885POLB 2046/4885HRH3 70/4885
US-11773110-B2 Heterocycle amines and uses thereof HNMT, NQO1, ACHE SMN1; SMN2 1082/4885POLB 2167/4885HRH3 15/4885
US-11858938-B2 Imidazo-fused heterocycles and uses thereof PAICS, ABL1, IDH3A SMN1; SMN2 511/4885POLB 2551/4885HRH3 264/4885
US-11186593-B2 Heterocycle amines and uses thereof HNMT, NQO1, ACHE SMN1; SMN2 1082/4885POLB 2167/4885HRH3 15/4885
US-20110020278-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 SMN1; SMN2 1851/4885POLB 1584/4885HRH3 4242/4885
US-20220119413-A1 HETEROCYCLE AMINES AND USES THEREOF HNMT, NQO1, ACHE SMN1; SMN2 1082/4885POLB 2167/4885HRH3 15/4885

“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.