SCHEMBL5398136

SCHEMBL5398136

BrCCCOc1ccc2ncccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.50
PPARA Q07869 1/20 0.50
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
POLB P06746 1/20 0.49
MCL1 Q07820 1/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPT P10636 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
KDM4E B2RXH2 3/20 0.46
ATM Q13315 2/20 0.46
TP53 P04637 1/20 0.46
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
TSHR P16473 1/20 0.46
CASP1 P29466 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALOX5 P09917 1/20 0.46

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
SCHEMBL4476421 0.92 NPC1 (0.53) PPARGPPARANPC1RAB9APOLB
SCHEMBL7068337 0.87 CYP3A4 (0.59) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL9950393 0.85 PPARG (0.60) PPARGPPARANPC1RAB9APOLB
SCHEMBL27891386 0.85 NPC1 (0.53) PPARGPPARANPC1RAB9APOLB
SCHEMBL26125762 0.84 ALDH1A1 (0.50) PPARGPPARANPC1RAB9APOLB
SCHEMBL23412255 0.83 KDM4E (0.62) PPARGPPARANPC1RAB9APOLB
SCHEMBL23412356 0.83 KDM4E (0.62) PPARGPPARANPC1RAB9APOLB
SCHEMBL23412131 0.83 KDM4E (0.62) PPARGPPARANPC1RAB9APOLB
SCHEMBL28900536 0.83 MCL1 (0.47) PPARGPPARANPC1RAB9APOLB
SCHEMBL29133435 0.83 PDE10A (0.58) NPC1RAB9AALDH1A1MAPTSMN1; SMN2

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
CN-103044391-B A kind of DPP-IV inhibitor efficiently GUANGZHOU INSTITUTES OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2015-11-25 CN disclosed
CN-103044392-B A kind of preparation method of efficient DPP-IV inhibitor LIANYUNGANG RUNZHONG PHARMACEUTICAL CO.,LTD. (CN) 2015-10-14 CN disclosed
CN-103044391-A High-efficient DPP (dipeptidyl peptidase)-IV inhibitor GUANGZHOU INST BIOMED & HEALTH 2013-04-17 CN disclosed
CN-103044392-A Preparation method of high-efficient DPP (dipeptidyl peptidase)-IV inhibitor LIANYUNGANG RUIZHONG PHARMACEUTICAL CO LTD 2013-04-17 CN disclosed
US-7247617-B2 Sixteen-member macrolide antiinfective agents KOSAN BIOSCIENCES INCORPORATED (US) 2007-07-24 US disclosed
WO-2006017250-A2 SIXTEEN-MEMBERED MACROLIDE ANTIINFECTIVE AGENTS KOSAN BIOSCIENCES INCORPORATED (US) 2006-02-16 WO disclosed
US-20060014707-A1 Sixteen-member macrolide antiinfective agents KOSAN BIOSCIENCES INCORPORATED INTELLECTUAL PROPERTY DEPT. 2006-01-19 US disclosed
CN-1564820-A Heterocyclic compounds for use in the treatment of disorders of the urinary tract RECORDATI CHEM PHARM (CH) 2005-01-12 CN disclosed
CN-1476445-A 4- (biphenylcarbonylamino) piperidine derivatives as MTP inhibitors Ĭ��ר�����޹�˾ 2004-02-18 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 (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-20060014707-A1 Sixteen-member macrolide antiinfective agents MRPL21, MRPS18B, MRPS18A PPARG 2876/4885PPARA 3163/4885NPC1 465/4885

“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.