SCHEMBL17124306

SCHEMBL17124306

[3H]OC(=O)c1c(C)cc(F)cc1C#N

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NR3C2 P08235 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
XDH P47989 1/20 0.30
HPGD P15428 1/20 0.30
DHODH Q02127 1/20 0.30

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
SCHEMBL26078000 0.88 CYP3A4 (0.39) NOTUMALDH1A1LMNACYP1A2CYP2C9
SCHEMBL17124307 0.82 CYP3A4 (0.36) ALDH1A1KDM4ESMN1; SMN2CES2CES1
SCHEMBL1862285 0.77 CYP3A4 (0.44) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL21276588 0.76 HPGD (0.34) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL12689499 0.73 TSHR (0.47) NOTUMALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL19779546 0.70 PTGS1 (0.42) KDM4ESMN1; SMN2DHODH
SCHEMBL16481702 0.69 TSHR (0.38) KDM4ECYP11B1CYP11B2DHODH
SCHEMBL20562679 0.69 TSHR (0.38) ALDH1A1CYP1A2CYP2C19KDM4ECYP11B1
SCHEMBL421459 0.68 CYP3A4 (0.50) NOTUMALDH1A1KDM4ESMN1; SMN2CES2
SCHEMBL30937561 0.66 ALDH1A1 (0.36) ALDH1A1LMNAKDM4EXDHHPGD

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-20150274662-A1 4-CARBOXAMIDO-ISOINDOLINONE DERIVATIVES AS SELECTIVE PARP-1 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-10-01 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-20150274662-A1 4-CARBOXAMIDO-ISOINDOLINONE DERIVATIVES AS SELECTIVE PARP-1 INHIBITORS PARP1, PARP2, PARP11 NOTUM 4025/4885ALDH1A1 519/4885LMNA 180/4885

“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.