SCHEMBL3710767

SCHEMBL3710767

Nc1ccc(-c2cc(C(O)(CO)c3cc(-c4ccc(NCc5ccccc5)cc4)no3)on2)cc1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 20/20 0.47
CYP2C19 P33261 19/20 0.47
CYP2C9 P11712 18/20 0.47
CYP1A2 P05177 15/20 0.47
CYP2D6 P10635 14/20 0.43

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
SCHEMBL3710765 0.81 CYP3A4 (0.51) CYP3A4CYP2C19CYP2C9CYP1A2CYP2D6
SCHEMBL189904 0.75 NOTUM (0.66) CYP3A4CYP2C19CYP2C9CYP1A2CYP2D6
SCHEMBL3989641 0.73 CYP3A4 (0.53) CYP3A4CYP2C19CYP2C9CYP1A2CYP2D6
SCHEMBL3989642 0.73 NOTUM (0.66) CYP3A4CYP2C19CYP2C9CYP1A2CYP2D6
SCHEMBL564987 0.71 HTT (0.64) CYP3A4CYP2C19CYP2C9CYP1A2CYP2D6
SCHEMBL189618 0.68 ROCK2 (0.48) CYP3A4CYP2C19CYP2C9CYP1A2CYP2D6
SCHEMBL11936095 0.68 FFAR1 (0.63) CYP3A4CYP2C19CYP2C9CYP1A2
SCHEMBL31396238 0.65 HTT (0.56) CYP3A4CYP2C19CYP2C9CYP1A2CYP2D6
SCHEMBL333550 0.65 CYP1A2 (0.58) CYP3A4CYP2C19CYP2C9CYP1A2
SCHEMBL14071631 0.65 FFAR1 (0.51) CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2401263-B1 SUBSTITUTED AZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITION CONTAINING THE DERIVATIVES, AND METHOD FOR TREATING PARKINSON'S DISEASE USING THE SAME SK BIOPHARMACEUTICALS CO LTD (KR) 2016-02-17 EP disclosed
US-8828992-B2 Substituted azole derivatives, pharmaceutical composition containing the derivatives, and method for treating Parkinson's disease using the same SK BIOPHARMACEUTICALS CO., LTD. (KR) 2014-09-09 US disclosed
US-20110301150-A1 SUBSTITUTED AZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITION CONTAINING THE DERIVATIVES, AND METHOD FOR TREATING PARKINSON'S DISEASE USING THE SAME SK BIOPHARMACEUTICALS CO., LTD. 2011-12-08 US disclosed
WO-2010098600-A2 SUBSTITUTED AZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITION CONTAINING THE DERIVATIVES, AND METHOD FOR TREATING PARKINSON'S DISEASE USING THE SAME SK HOLDINGS CO., LTD. (KR) 2010-09-02 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-20110301150-A1 SUBSTITUTED AZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITION CONTAINING THE DERIVATIVES, AND METHOD FOR TREATING PARKINSON'S DISEASE USING THE SAME MAOB, MAOA, PARK7 CYP3A4 32/4885CYP2C19 4/4885CYP2C9 17/4885

“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.