SCHEMBL523614

SCHEMBL523614

CNCc1cccc(CNC)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.54
CXCR4 P61073 2/20 0.48
KDM4E B2RXH2 2/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
KCNH2 Q12809 3/20 0.41
TP53 P04637 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
PKM P14618 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
PGK1 P00558 1/20 0.38
PGK2 P07205 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
HRH4 Q9H3N8 1/20 0.37
CYP2A6 P11509 2/20 0.36
ADRB2 P07550 1/20 0.36

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
SCHEMBL7333040 0.91 CXCR4 (0.52) NPSR1CXCR4KDM4ECYP3A4MAPT
SCHEMBL8986161 0.89 NPSR1 (0.46) NPSR1CXCR4KDM4ECYP3A4MAPT
SCHEMBL14076725 0.89 NPSR1 (0.50) NPSR1CXCR4KDM4ECYP3A4MAPT
SCHEMBL2476858 0.86 SMN1; SMN2 (0.53) NPSR1CXCR4CYP3A4SMN1; SMN2
SCHEMBL29791992 0.86 SMN1; SMN2 (0.53) NPSR1CXCR4CYP3A4SMN1; SMN2
SCHEMBL31330291 0.84 KDM1A (0.47) NPSR1CXCR4KDM4ECYP3A4MAPT
SCHEMBL2679367 0.84 KDM1A (0.47) NPSR1CXCR4KDM4ECYP3A4MAPT
SCHEMBL7788876 0.84 NOS3 (0.45) NPSR1CXCR4
SCHEMBL12536038 0.84 NPSR1 (0.41) NPSR1CXCR4KDM4ECYP3A4MAPT
SCHEMBL13464907 0.84 NPSR1 (0.41) NPSR1CXCR4KDM4ECYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11730726-B2 Dimeric immuno-modulatory compounds against cereblon-based mechanisms H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2023-08-22 US disclosed
US-11351260-B2 Photocleavable cobalt-nitrosyl complex and nitric oxide carrier containing the same DAEGU GYEONGBUK INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2022-06-07 US disclosed
US-20210052730-A1 Photocleavable Cobalt-Nitrosyl Complex and Nitric Oxide Carrier Containing the Same DAEGU GYEONGBUK INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2021-02-25 US disclosed
EP-2415742-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR Sumitomo Chemical Company, Limited (JP) 2012-02-08 EP disclosed
US-20120029195-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-02 US disclosed
EP-0934924-B1 NOVEL DIAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME KOWA CO (JP) 2008-08-13 EP disclosed
US-6576642-B2 Inhibitors of the production of Ig E antibodies, antiallergens KOWA CO., LTD. (JP) 2003-06-10 US disclosed
US-20010039279-A1 Diamide compounds and compositions containing the same KOWA CO., LTD. (JP) 2001-11-08 US disclosed
US-6297283-B1 EXCELLENT INHIBITORY EFFECT ON THE PRODUCTION OF AN IGE ANTIBODY AND ARE HENCE USEFUL AS ANTIALLERGIC AGENTS KOWA CO., LTD. (JP) 2001-10-02 US disclosed
EP-0934924-A1 NOVEL DIAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME KOWA CO. LTD. (JP) 1999-08-11 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 (5 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-20010039279-A1 Diamide compounds and compositions containing the same HRH4, HRH2, HRH1 NPSR1 2752/4885CXCR4 836/4885KDM4E 721/4885
US-11730726-B2 Dimeric immuno-modulatory compounds against cereblon-based mechanisms CRBN, CD4, CD74 NPSR1 4092/4885CXCR4 481/4885KDM4E 3212/4885
US-20210052730-A1 Photocleavable Cobalt-Nitrosyl Complex and Nitric Oxide Carrier Containing the Same NOS2, NOS1, PPOX NPSR1 2128/4885CXCR4 2379/4885KDM4E 1945/4885
US-11351260-B2 Photocleavable cobalt-nitrosyl complex and nitric oxide carrier containing the same NOS2, NOS1, PPOX NPSR1 2128/4885CXCR4 2379/4885KDM4E 1945/4885
US-20120029195-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR ADH1A, ADH1C, ADH5 NPSR1 3205/4885CXCR4 1117/4885KDM4E 1708/4885

“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.