SCHEMBL189904

SCHEMBL189904

OCc1cc(-c2ccc(NCc3ccccc3)cc2)no1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.66
CYP3A4 P08684 13/20 0.55
CYP2C9 P11712 13/20 0.55
CYP2C19 P33261 13/20 0.55
CYP1A2 P05177 12/20 0.55
CYP2D6 P10635 11/20 0.50
ROCK2 O75116 1/20 0.50
PRKCA P17252 1/20 0.50
GRK2 P25098 1/20 0.50
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL3989642 0.86 NOTUM (0.66) NOTUMCYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL189618 0.81 ROCK2 (0.48) NOTUMCYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL1313626 0.81 NOTUM (1.00) NOTUMCYP2C9CYP2C19CYP1A2NPC1
SCHEMBL3989641 0.79 CYP3A4 (0.53) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL3710765 0.77 CYP3A4 (0.51) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL189559 0.76 NOTUM (0.66) NOTUMNPC1RAB9ASMN1; SMN2
SCHEMBL1096147 0.75 ROCK2 (0.52) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL3710767 0.75 CYP3A4 (0.47) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL190050 0.74 MAPT (0.52) ROCK2PRKCAGRK2NPC1RAB9A
SCHEMBL189673 0.74 FFAR1 (0.48) CYP3A4CYP2C9CYP2C19CYP1A2ROCK2

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 5 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
EP-2401263-A2 SUBSTITUTED AZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITION CONTAINING THE DERIVATIVES, AND METHOD FOR TREATING PARKINSON'S DISEASE USING THE SAME SK Biopharmaceuticals Co., Ltd. (KR) 2012-01-04 EP 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 NOTUM 1260/4885CYP3A4 32/4885CYP2C9 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.