SCHEMBL189884

SCHEMBL189884

Nc1ccc(-c2cc(CO)on2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.70
SMN1; SMN2 Q16637 6/20 0.45
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 4/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
POLB P06746 1/20 0.42
CYP2C9 P11712 3/20 0.42
P2RY14 Q15391 2/20 0.42
TSPO P30536 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
TDP1 Q9NUW8 3/20 0.41
JAK2 O60674 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
ALPG P10696 1/20 0.41
CYP2C19 P33261 2/20 0.41

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
SCHEMBL190291 0.84 NOTUM (0.72) NOTUMSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL3981494 0.84 NOTUM (0.72) NOTUMSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL3233333 0.84 NOTUM (0.72) NOTUMSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL8577207 0.82 NOTUM (0.70) NOTUMSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL4311207 0.82 NOTUM (1.00) NOTUMSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL23852324 0.82 NOTUM (0.70) NOTUMSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL103310 0.82 NOTUM (0.70) NOTUMSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL16848046 0.82 NOTUM (0.51) NOTUMSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL1313626 0.81 NOTUM (1.00) NOTUMSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL22918213 0.81 NOTUM (0.69) NOTUMSMN1; SMN2RAB9ANPC1LMNA

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 9 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
CN-101768155-B Derivatives containing (aminomethyl-five-membered heterocyclo-4-carbonyl)-pyrrolidine-2-carboxylic acid, preparation method thereof and use thereof TIANJIN INST PHARM RESEARCH 2012-09-05 CN disclosed
CN-101768130-B Derivatives containing aminomethyl-5-membered aromatic heterocycle-4-carboxylic acid, preparation method, drug combination and application thereof TIANJIN INST PHARM RESEARCH 2012-07-04 CN 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
CN-101768155-A Derivatives containing (aminomethyl-five-membered heterocyclo-4-carbonyl)-pyrrolidine-2-carboxylic acid, preparation method thereof and use thereof TIANJIN INST PHARM RESEARCH 2010-07-07 CN disclosed
CN-101768130-A Derivatives containing aminomethyl-5-membered aromatic heterocycle-4-carboxylic acid, preparation method, drug combination and application thereof TIANJIN INST PHARM RESEARCH 2010-07-07 CN 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 1260/4885SMN1; SMN2 268/4885RAB9A 1245/4885

“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.