SCHEMBL20067066

SCHEMBL20067066

CC(=O)c1cc2cc(-c3ccccc3)c(N)cc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
KDM4E B2RXH2 4/20 0.45
HPGD P15428 2/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 2/20 0.45
GAA P10253 2/20 0.45
NPC1 O15118 1/20 0.45
GLA P06280 1/20 0.45
RAB9A P51151 1/20 0.45
ATM Q13315 1/20 0.45
HSD17B10 Q99714 2/20 0.41
DAO P14920 1/20 0.41
SRD5A2 P31213 1/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40

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
SCHEMBL18131118 0.83 ALDH1A1 (0.70) MAPTKDM4EHPGDLMNASMN1; SMN2
SCHEMBL10084366 0.76 IDO1 (0.54) MAPTKDM4EHPGDSMN1; SMN2MEN1
SCHEMBL20067065 0.74 HSD17B10 (0.43) MAPTKDM4EHPGDLMNASMN1; SMN2
SCHEMBL20067072 0.74 GPR35 (0.39) MAPTKDM4EHPGDLMNASMN1; SMN2
SCHEMBL68771 0.71 FLT3 (0.71) MAPTKDM4EHPGDLMNASMN1; SMN2
SCHEMBL3788518 0.70 MAPT (0.55) MAPTKDM4EHPGDLMNASMN1; SMN2
SCHEMBL14638365 0.70 HRH4 (0.58) MAPTKDM4EHPGDALDH1A1GAA
SCHEMBL12862877 0.70 HRH4 (0.58) KDM4EHPGDLMNASMN1; SMN2ALDH1A1
SCHEMBL3800105 0.70 MAPT (0.55) MAPTKDM4EHPGDLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL9537225 0.69 MAPT (0.53) MAPTKDM4EHPGDLMNASMN1; SMN2

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 MAPT 565/4885KDM4E 3919/4885HPGD 3609/4885

“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.