SCHEMBL18350252

SCHEMBL18350252

CCCCCC(CN)n1nc(-c2ccc(Cl)cc2)cc1C(C)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 1/20 0.40
▸ TSHR P16473 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ CTRC Q99895 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ TLR8 Q9NR97 1/20 0.37
▸ SMPD1 P17405 1/20 0.37
▸ ENPP2 Q13822 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MAPT P10636 1/20 0.35
▸ PTGES O14684 1/20 0.35
▸ ALOX5 P09917 1/20 0.35

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
SCHEMBL18350265 0.91 MEN1 (0.40) CHRNA7TSHRALDH1A1MAPK1MEN1
SCHEMBL18361784 0.88 SMN1; SMN2 (0.46) TSHRALDH1A1MAPK1MEN1KMT2A
SCHEMBL18361797 0.71 FAAH (0.41) TSHRALDH1A1MAPK1NPC1RAB9A
SCHEMBL16700446 0.67 TEAD2 (0.41) TSHRALDH1A1MAPK1NPC1RAB9A
SCHEMBL16700430 0.63 SMN1; SMN2 (0.47) CHRNA7ALDH1A1MEN1KMT2AHPGD
SCHEMBL3103714 0.63 MAPT (0.51) CHRNA7TSHRALDH1A1MAPK1NPC1
SCHEMBL2173892 0.62 TSHR (0.57) CHRNA7TSHRALDH1A1MAPK1NPC1
SCHEMBL8675227 0.61 TSHR (0.47) TSHRALDH1A1MAPK1MEN1KMT2A
SCHEMBL14064300 0.61 TSHR (0.44) TSHRALDH1A1MAPK1MEN1KMT2A
SCHEMBL28014535 0.61 MAPT (0.52) CHRNA7TSHRALDH1A1MAPK1NPC1

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-20160376278-A1 FUSED PYRAZOLE DERIVATIVE HAVING AUTOTAXIN INHIBITORY ACTIVITY THE UNIVERSITY OF TOKYO (JP) 2016-12-29 — — 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-20160376278-A1 FUSED PYRAZOLE DERIVATIVE HAVING AUTOTAXIN INHIBITORY ACTIVITY ENPP2, PRTN3, TPX2 CHRNA7 1759/4885TSHR 672/4885ALDH1A1 4647/4885

“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.

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