SCHEMBL20657331

SCHEMBL20657331

CCCCON(C=O)Cc1c[nH]c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
KDM4E B2RXH2 3/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
MAPT P10636 3/20 0.55
HSD17B10 Q99714 2/20 0.55
HPGD P15428 1/20 0.55
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C19 P33261 2/20 0.50
TSHR P16473 1/20 0.50
BCHE P06276 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
LMNA P02545 3/20 0.46
HTT P42858 1/20 0.46
KCNA5 P22460 1/20 0.46
KCNH2 Q12809 1/20 0.46
GAA P10253 1/20 0.45
NPC1 O15118 1/20 0.45
MTNR1A P48039 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
SCHEMBL28606679 0.78 ALDH1A1 (0.55) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL27523199 0.76 KCNA5 (0.52) KDM4EMEN1KMT2AMAPTTSHR
SCHEMBL9080446 0.74 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AHSD17B10HPGD
SCHEMBL11472040 0.72 AKR1B1 (0.38) ALDH1A1HSD17B10HPGDCYP3A4CYP2D6
SCHEMBL1027348 0.72 ALDH1A1 (1.00) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL31518326 0.72 LMNA (0.64) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL25862649 0.70 MEN1 (0.49) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL8766823 0.70 ALDH1A1 (0.79) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL27509828 0.70 MEN1 (0.48) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL266641 0.70 SLC6A4 (0.68) ALDH1A1KDM4EMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10435388-B2 Selective inhibitors of clinically important mutants of the EGFR tyrosine kinase CS PHARMATECH LIMITED (KY) 2019-10-08 US disclosed
US-20190023689-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE HIGH GREAT INVESTMENT LIMITED (HK) 2019-01-24 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 (2 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-10435388-B2 Selective inhibitors of clinically important mutants of the EGFR tyrosine kinase EGFR, ERBB3, ERBB2 ALDH1A1 3193/4885KDM4E 1867/4885MEN1 3422/4885
US-20190023689-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE EGFR, ERBB3, ERBB2 ALDH1A1 3193/4885KDM4E 1867/4885MEN1 3422/4885

“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.