SCHEMBL18350265

SCHEMBL18350265

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CHRNA7 P36544 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ CTRC Q99895 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SMPD1 P17405 1/20 0.38
▸ TSHR P16473 3/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ ENPP2 Q13822 1/20 0.38
▸ LMNA P02545 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ TLR8 Q9NR97 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ PTGES O14684 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
SCHEMBL18350252 0.91 CHRNA7 (0.40) MEN1KMT2ACHRNA7NPC1RAB9A
SCHEMBL18361784 0.79 SMN1; SMN2 (0.46) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL18361797 0.73 FAAH (0.41) NPC1RAB9ATSHRALDH1A1MAPK1
SCHEMBL8675227 0.63 TSHR (0.47) MEN1KMT2AKDM4ETSHRALDH1A1
SCHEMBL14064300 0.63 TSHR (0.44) MEN1KMT2ANPC1RAB9ACTRC
SCHEMBL28014535 0.62 MAPT (0.52) CHRNA7NPC1RAB9AKDM4EHPGD
SCHEMBL2565586 0.62 MAPT (0.56) NPC1RAB9ACTRCKDM4EHPGD
SCHEMBL5022767 0.62 TSHR (0.58) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL3103714 0.61 MAPT (0.51) CHRNA7NPC1RAB9AKDM4EHPGD
SCHEMBL2173892 0.61 TSHR (0.57) CHRNA7NPC1RAB9AKDM4EHPGD

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 MEN1 1185/4885KMT2A 2563/4885CHRNA7 1759/4885

“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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