SCHEMBL10022385

SCHEMBL10022385

CCc1nc(-c2ccc(C(C)C)cc2)no1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.56
ACACA Q13085 2/20 0.56
SCN5A Q14524 2/20 0.49
SCN10A Q9Y5Y9 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HTT P42858 1/20 0.49
NOTUM Q6P988 3/20 0.49
CYP1A2 P05177 1/20 0.47
POLB P06746 2/20 0.46
TP53 P04637 3/20 0.46
MAPT P10636 3/20 0.46
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
SIRT2 Q8IXJ6 2/20 0.44

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
SCHEMBL2541985 0.85 NOTUM (0.51) SCN5ASCN10ASMN1; SMN2TDP1NPC1
SCHEMBL6528165 0.85 NOTUM (0.69) SCN5ASCN10ASMN1; SMN2TDP1NPC1
SCHEMBL201607 0.83 NOTUM (0.70) ACACBACACASCN5ASCN10ASMN1; SMN2
SCHEMBL5311162 0.83 ACACB (0.59) ACACBACACASCN5ASCN10ASMN1; SMN2
SCHEMBL14441200 0.83 MAPK1 (0.54) SCN5ASCN10ASMN1; SMN2TDP1NPC1
SCHEMBL12168972 0.81 RAB9A (0.47) ACACBACACASMN1; SMN2TDP1NPC1
SCHEMBL10053485 0.81 SMN1; SMN2 (0.63) ACACBACACASMN1; SMN2TDP1NPC1
SCHEMBL12525780 0.81 MAPT (0.61) ACACBACACASMN1; SMN2TDP1NPC1
SCHEMBL8592557 0.79 ACACB (0.59) ACACBACACASMN1; SMN2TDP1NPC1
SCHEMBL6112858 0.79 ACACB (0.59) ACACBACACASMN1; SMN2TDP1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017507-B2 Diaza-benzofluoranthrene compounds HARBIN PHARMACEUTICAL GROUP CO., LTD. GENERAL PHARMACEUTICAL FACTORY (CN) 2018-07-10 US disclosed
US-20180016270-A1 DIAZA-BENZOFLUORANTHRENE COMPOUNDS HARBIN PHARMACEUTICAL GROUP CO., LTD. GENERAL PHARMACEUTICAL FACTORY (CN) 2018-01-18 US disclosed
US-20170240519-A1 BENZOFURAN ANALOGUE AS NS4B INHIBITOR CHANGZHOU YINSHENG PHARMACEUTICAL CO., LTD. (CN) 2017-08-24 US disclosed
US-20170066732-A1 ANTI-ENTEROVIRUS 71 THIADIAZOLIDINE DERIVATIVE Jiangsu Kanion pharmaceutical CO. LTD (CN) 2017-03-09 US disclosed
US-8486981-B2 Selective ligands for the dopamine 3 (D3) receptor and methods of using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-07-16 US disclosed
WO-2012121919-A2 SELECTIVE LIGANDS FOR THE DOPAMINE 3 (D3) RECEPTOR AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-09-13 WO disclosed
US-20120232118-A1 SELECTIVE LIGANDS FOR THE DOPAMINE 3 (D3) RECEPTOR AND METHODS OF USING THE SAME UNIVERSITY OF KANSAS (US) 2012-09-13 US disclosed
US-20120165322-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 US disclosed
US-20120165322-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 US 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 (6 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-20120232118-A1 SELECTIVE LIGANDS FOR THE DOPAMINE 3 (D3) RECEPTOR AND METHODS OF USING THE SAME DRD3, SLC6A3, OPRD1 ACACB 4825/4885ACACA 4639/4885SCN5A 3496/4885
US-20180016270-A1 DIAZA-BENZOFLUORANTHRENE COMPOUNDS DDT, CYP3A43, CYP19A1 ACACB 707/4885ACACA 360/4885SCN5A 778/4885
US-20170240519-A1 BENZOFURAN ANALOGUE AS NS4B INHIBITOR GTF3C4, BRD4, CUL4B ACACB 1773/4885ACACA 2760/4885SCN5A 248/4885
US-20170066732-A1 ANTI-ENTEROVIRUS 71 THIADIAZOLIDINE DERIVATIVE EIF2AK2, GTF3C5, GTF3C1 ACACB 4773/4885ACACA 4445/4885SCN5A 10/4885
US-20120165322-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, RHOA ACACB 2232/4885ACACA 2102/4885SCN5A 3383/4885
US-10017507-B2 Diaza-benzofluoranthrene compounds DDT, CYP3A43, CYP19A1 ACACB 707/4885ACACA 360/4885SCN5A 778/4885

“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.