SCHEMBL6503518

SCHEMBL6503518

O=C(O)c1[nH]cnc1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.55
CYP3A4 P08684 1/20 0.55
MAPT P10636 1/20 0.55
LMNA P02545 2/20 0.46
GAA P10253 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
PIN1 Q13526 2/20 0.43
CYP1A2 P05177 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP1 P29466 1/20 0.43
CYP2C19 P33261 1/20 0.43
IDO1 P14902 3/20 0.42
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
POLB P06746 2/20 0.41

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
SCHEMBL27634016 0.89 KDM4E (0.55) KDM4ECYP3A4MAPTLMNAGAA
SCHEMBL21400451 0.85 KDM4E (0.52) KDM4ECYP3A4MAPTLMNAGAA
SCHEMBL1925022 0.79 TDP1 (0.46) KDM4ECYP3A4MAPTLMNAGAA
SCHEMBL4802249 0.77 KDM4E (0.60) KDM4EMAPTLMNAGAAALDH1A1
SCHEMBL23294293 0.77 KMO (0.46) KDM4EIDO1
SCHEMBL23294493 0.73 KMO (0.53) CASP1IDO1ADORA2AADORA1
SCHEMBL15614434 0.72 ALDH1A1 (0.54) KDM4ECYP3A4MAPTLMNAGAA
SCHEMBL224770 0.71 KDM4E (1.00) KDM4ECYP3A4MAPTLMNAGAA
SCHEMBL8913214 0.70 FLT1 (0.51) KDM4ECYP3A4MAPTGAAALDH1A1
SCHEMBL8913217 0.70 FLT1 (0.51) KDM4ECYP3A4MAPTGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339130-B1 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2022-05-24 US disclosed
US-10934261-B2 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2021-03-02 US disclosed
US-10894776-B2 2021-01-19 US disclosed
EP-2906553-B1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI (HETERO )ARYL]-[2-(META BI (HETERO)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2019-06-26 EP disclosed
WO-2018064119-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. (US) 2018-04-05 WO disclosed
US-20050014765-A1 Aryl-heteroaromatic products, compositions comprising them and use AVENTIS PHARMA S.A. (FR) 2005-01-20 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 (4 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-10934261-B2 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 KDM4E 3495/4885CYP3A4 4746/4885MAPT 562/4885
US-20050014765-A1 Aryl-heteroaromatic products, compositions comprising them and use AHR, ARNT, MYC KDM4E 1246/4885CYP3A4 50/4885MAPT 3583/4885
US-10894776-B2 CAPNS1, CAPN9, CAPN2 KDM4E 3117/4885CYP3A4 4398/4885MAPT 330/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 KDM4E 3495/4885CYP3A4 4746/4885MAPT 562/4885

“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.