SCHEMBL4376200

SCHEMBL4376200

Cc1ccc(Oc2ccc(C#N)cc2)cn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.60
PARP15 Q460N3 1/20 0.45
PARP10 Q53GL7 1/20 0.45
PARP2 Q9UGN5 1/20 0.45
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
IL18 Q14116 1/20 0.44
GCK P35557 1/20 0.43
KDM1A O60341 1/20 0.43
HAO1 Q9UJM8 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL13895544 0.81 CYP19A1 (0.59) CYP19A1PARP15PARP10PARP2CYP11B1
SCHEMBL2026607 0.80 CYP19A1 (0.40) CYP19A1MEN1RAB9AKMT2AKDM1A
SCHEMBL1446447 0.79 MAP4K4 (0.41) CYP19A1MAPTKMT2AHAO1
SCHEMBL8737063 0.79 TEAD4 (0.50) KDM4EMEN1POLBMAPTRAB9A
SCHEMBL15584627 0.79 CYP19A1 (0.56) CYP19A1PARP15PARP10PARP2CYP11B1
SCHEMBL4480751 0.79 CYP19A1 (0.56) CYP19A1PARP15PARP10PARP2CYP11B1
SCHEMBL2707449 0.79 CYP19A1 (0.56) CYP19A1PARP15PARP10PARP2LMNA
SCHEMBL171975 0.78
SCHEMBL29794327 0.78
SCHEMBL7041250 0.78 PARP15 (0.63) CYP19A1PARP15PARP10PARP2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110086877-A1 Small Molecule Inhibitors of Botulinum Neurotoxins BAVARI SINA 2011-04-14 US disclosed
WO-2009117421-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-09-24 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-20110086877-A1 Small Molecule Inhibitors of Botulinum Neurotoxins ACHE, MMP2, TIMP3 CYP19A1 1827/4885PARP15 1689/4885PARP10 1591/4885

“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.