SCHEMBL20067065

SCHEMBL20067065

CC(=O)c1cc2ccc(-c3ccccc3)c(N)c2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 2/20 0.43
HPGD P15428 2/20 0.43
USP2 O75604 1/20 0.43
MAPT P10636 6/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
KCNH2 Q12809 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 3/20 0.38
NSD2 O96028 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37

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
SCHEMBL18131096 0.82 ALDH1A1 (0.54) HSD17B10KMT2AALDH1A1MEN1HPGD
SCHEMBL20067081 0.76 HRH4 (0.38) HSD17B10KMT2AALDH1A1MEN1HPGD
SCHEMBL20067066 0.74 MAPT (0.45) HSD17B10KMT2AALDH1A1MEN1HPGD
SCHEMBL30494484 0.69 HPGD (0.46) HSD17B10KMT2AALDH1A1MEN1HPGD
SCHEMBL28064535 0.69 HPGD (0.46) HSD17B10KMT2AALDH1A1MEN1HPGD
SCHEMBL29053569 0.68 HSD17B10 (0.61) HSD17B10KMT2AALDH1A1MEN1HPGD
SCHEMBL18137190 0.68 CDK5 (0.43) HSD17B10KMT2AMAPTALOX15ALOX12
SCHEMBL12019611 0.67 SMN1; SMN2 (0.51) HSD17B10KMT2AALDH1A1MEN1HPGD
SCHEMBL18354217 0.67 NSD2 (0.61) HSD17B10ALDH1A1HPGDNPSR1KDM4E
SCHEMBL10084366 0.67 IDO1 (0.54) HSD17B10KMT2AMEN1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180105518-A1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2018-04-19 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-20180105518-A1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF NGFR, NTRK2, NGF HSD17B10 3547/4885KMT2A 3380/4885ALDH1A1 4433/4885

“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.