SCHEMBL3340830

SCHEMBL3340830

Fc1ccc2[nH]c(-c3ccccc3)nc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.65
NPC1 O15118 6/20 0.65
RAB9A P51151 6/20 0.65
SMN1; SMN2 Q16637 5/20 0.65
GAA P10253 2/20 0.62
CYP11B1 P15538 1/20 0.54
ALDH1A1 P00352 8/20 0.53
HPGD P15428 6/20 0.53
HSD17B10 Q99714 5/20 0.53
TP53 P04637 4/20 0.53
MAPT P10636 3/20 0.53
CYP3A4 P08684 2/20 0.53
GFER P55789 2/20 0.53
GLA P06280 1/20 0.53
HTT P42858 1/20 0.53
RCE1 Q9Y256 1/20 0.53
MEN1 O00255 1/20 0.53
MAPK1 P28482 1/20 0.53
KMT2A Q03164 1/20 0.53
FTO Q9C0B1 1/20 0.53

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
SCHEMBL4373640 0.89 KDM4E (0.69) KDM4ENPC1RAB9ASMN1; SMN2GAA
SCHEMBL28477377 0.86 CYP11B1 (0.70) KDM4ENPC1RAB9ASMN1; SMN2GAA
SCHEMBL1170649 0.85 KDM4E (0.52) KDM4ENPC1RAB9ASMN1; SMN2CYP11B1
SCHEMBL17393597 0.84 NR1H4 (0.51) KDM4ENPC1RAB9ASMN1; SMN2GAA
SCHEMBL29824674 0.84 NPC1 (0.58) KDM4ENPC1RAB9ASMN1; SMN2GAA
SCHEMBL22955327 0.84 NPC1 (0.58) KDM4ENPC1RAB9ASMN1; SMN2GAA
SCHEMBL3336522 0.83 NPC1 (0.57) KDM4ENPC1RAB9ASMN1; SMN2GAA
SCHEMBL6247115 0.83 SMN1; SMN2 (0.61) KDM4ENPC1RAB9ASMN1; SMN2GAA
SCHEMBL4184286 0.83 CYP11B1 (0.67) KDM4ENPC1RAB9ASMN1; SMN2GAA
SCHEMBL10175464 0.83 CYP11B1 (0.79) KDM4ENPC1RAB9ASMN1; SMN2CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110759903-B Novel synthesis method of thiabendazole 南开大学 2022-10-28 CN disclosed
US-20210371992-A1 ELECTROCHEMICAL ORGANIC REACTION SETUP AND METHODS PIRAMAL PHARMA LIMITED (IN) 2021-12-02 US disclosed
CN-108129395-B Organic electroluminescent material and preparation method and application thereof 北京燕化集联光电技术有限公司 2020-09-15 CN disclosed
US-8198307-B2 Imidazole derivatives having aryl piperidine substituent, method for preparation thereof and pharmaceutical compositions containing same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-06-12 US disclosed
US-20100145054-A1 IMIDAZOLE DERIVATIVES HAVING ARYL PIPERIDINE SUBSTITUENT, METHOD FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-06-10 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 (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-20100145054-A1 IMIDAZOLE DERIVATIVES HAVING ARYL PIPERIDINE SUBSTITUENT, METHOD FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME TYR, MCHR1, MCHR2 KDM4E 220/4885NPC1 223/4885RAB9A 687/4885

“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.