SCHEMBL3830167

SCHEMBL3830167

C#Cc1ccc(N2CCN(Cc3ccccc3F)CC2)nn1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.53
▸ KMT2A Q03164 6/20 0.49
▸ ALDH1A1 P00352 8/20 0.48
▸ KDM4E B2RXH2 5/20 0.46
▸ CYP2A13 Q16696 1/20 0.46
▸ AR P10275 1/20 0.43
▸ MEN1 O00255 4/20 0.42
▸ HTT P42858 2/20 0.42
▸ LMNA P02545 1/20 0.41
▸ ATM Q13315 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ PLA2G1B P04054 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ATG4B Q9Y4P1 1/20 0.39
▸ RET P07949 1/20 0.39
▸ ALDH3A1 P30838 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
SCHEMBL3828589 0.81 POLB (0.57) POLBKMT2AALDH1A1KDM4ECYP2A13
SCHEMBL3832517 0.78 POLB (0.44) POLBKMT2AALDH1A1KDM4ECYP2A13
SCHEMBL14131014 0.76 POLB (0.42) POLBKMT2AALDH1A1KDM4ECYP2A13
SCHEMBL3825802 0.75 KMT2A (0.44) POLBKMT2AALDH1A1KDM4EMEN1
SCHEMBL16226380 0.74 ALDH1A1 (0.81) POLBKMT2AALDH1A1KDM4ECYP2A13
SCHEMBL14130744 0.73 KMT2A (0.42) POLBKMT2AALDH1A1KDM4EMEN1
SCHEMBL14143995 0.72 POLB (0.47) POLBKMT2AALDH1A1KDM4ECYP2A13
SCHEMBL14207104 0.71 CYP1A2 (0.52) POLBALDH1A1KDM4EHTTLMNA
SCHEMBL14130994 0.71 CYP3A4 (0.48) —
SCHEMBL14143639 0.71 POLB (0.46) POLBKMT2AALDH1A1KDM4ECYP2A13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101583600-A Acetylene derivatives as stearoyl-CoA desaturase inhibitors GLENMARK PHARMACEUTICALS SA (CH) 2009-11-18 — — CN disclosed
EP-2099755-A2 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS Glenmark Pharmaceuticals S.A. (CH) 2009-09-16 — — EP disclosed
US-20080182851-A1 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2008-07-31 — — US disclosed
US-20080182851-A1 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2008-07-31 — — US disclosed
US-20080182851-A1 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2008-07-31 — — US disclosed
WO-2008062276-A2 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (US) 2008-05-29 — — WO 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 3269/4885KMT2A 2996/4885ALDH1A1 578/4885

“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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