SCHEMBL14143995

SCHEMBL14143995

Oc1cccc(-c2ccc(N3CCN(Cc4ccccc4F)CC3)nn2)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.47
▸ RAB9A P51151 7/20 0.44
▸ TP53 P04637 1/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ ALDH1A1 P00352 4/20 0.42
▸ CNR2 P34972 1/20 0.42
▸ NPC1 O15118 6/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ AR P10275 1/20 0.41
▸ CYP2A13 Q16696 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ PAX8 Q06710 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL3832517 0.79 POLB (0.44) POLBKMT2AALDH1A1KDM4EAR
SCHEMBL14143826 0.77 NPC1 (0.45) RAB9AKMT2ACNR2NPC1MEN1
SCHEMBL3828589 0.75 POLB (0.57) POLBKMT2AALDH1A1KDM4EAR
SCHEMBL26681733 0.74 HTR7 (0.46) —
SCHEMBL30963940 0.72 HTR7 (0.47) RAB9ATP53KMT2AKDM4ELMNA
SCHEMBL3830167 0.72 POLB (0.53) POLBRAB9AKMT2AALDH1A1KDM4E
SCHEMBL14143773 0.71 SCD (0.53) —
SCHEMBL1752973 0.71 CHRNA7 (0.57) RAB9ATP53KMT2AALDH1A1NPC1
SCHEMBL30687809 0.70 HTR7 (0.41) —
SCHEMBL26680679 0.70 HTR7 (0.41) —

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-20080182851-A1 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2008-07-31 — — 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-20080182851-A1 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS SCD, SCD5, ACACA POLB 3269/4885RAB9A 3036/4885TP53 4646/4885

“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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