SCHEMBL3789944

SCHEMBL3789944

NC(=O)NCc1cc(-c2ccc(OCc3ccccc3)cc2)no1.NCc1cc(-c2ccc(OCc3ccccc3)cc2)no1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.52
SMN1; SMN2 Q16637 5/20 0.50
NOTUM Q6P988 1/20 0.50
CYP1A2 P05177 1/20 0.50
SMPD1 P17405 1/20 0.50
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MAPT P10636 1/20 0.49
LMNA P02545 3/20 0.47
POLB P06746 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HDAC1 Q13547 1/20 0.46
MCL1 Q07820 1/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL188981 0.96 HPGD (0.55) HPGDSMN1; SMN2CYP1A2SMPD1RAB9A
SCHEMBL190469 0.87 NOTUM (0.66) SMN1; SMN2NOTUMSMPD1RAB9ANPC1
SCHEMBL189495 0.85 SMN1; SMN2 (0.53) HPGDSMN1; SMN2CYP1A2SMPD1RAB9A
SCHEMBL188998 0.83 SPHK2 (0.56) HPGDSMN1; SMN2CYP1A2SMPD1RAB9A
SCHEMBL31686338 0.81 NOTUM (0.58) HPGDSMN1; SMN2NOTUMCYP1A2RAB9A
SCHEMBL189696 0.81 SMPD1 (0.52) HPGDSMN1; SMN2CYP1A2SMPD1RAB9A
SCHEMBL189613 0.81 MAOB (0.53) HPGDSMN1; SMN2SMPD1RAB9ANPC1
SCHEMBL189840 0.81 RAB9A (0.59) SMN1; SMN2SMPD1RAB9ANPC1TDP1
SCHEMBL189977 0.80 SMPD1 (0.48) HPGDSMN1; SMN2CYP1A2SMPD1RAB9A
SCHEMBL190340 0.80 RAB9A (0.50) HPGDSMN1; SMN2SMPD1RAB9ANPC1

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 HPGD 328/4885SMN1; SMN2 268/4885NOTUM 1260/4885

“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.