SCHEMBL2302140

SCHEMBL2302140

CC/C(Nc1ccccc1Cl)=C(/C#N)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 1/20 0.50
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
HTT P42858 2/20 0.45
DHODH Q02127 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
HPGD P15428 2/20 0.42
MAPT P10636 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 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
SCHEMBL2302146 1.00 KCNQ2 (0.50) KCNQ2NPC1RAB9AHTTDHODH
SCHEMBL7125256 0.81 DHODH (0.47) RAB9ADHODHMEN1KMT2AHPGD
SCHEMBL5914909 0.75 DHODH (0.71) NPC1RAB9ADHODHMEN1KMT2A
SCHEMBL5914908 0.75 DHODH (0.71) NPC1RAB9ADHODHMEN1KMT2A
SCHEMBL9597939 0.74 GAA (0.49) NPC1RAB9AHTTMEN1KMT2A
SCHEMBL21326162 0.74 LMNA (0.46) KCNQ2NPC1RAB9AHTTMEN1
SCHEMBL21326166 0.74 LMNA (0.46) KCNQ2NPC1RAB9AHTTMEN1
SCHEMBL5186995 0.72 MEN1 (0.68) KCNQ2NPC1RAB9AHTTMEN1
SCHEMBL10899897 0.71 DHODH (0.55) NPC1RAB9ADHODHMEN1KMT2A
SCHEMBL16637119 0.70 DHODH (0.52) NPC1HTTDHODHMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150258175-A1 METHOD OF TREATING CANCER AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-09-17 US claimed
US-20110251216-A1 COMPOSITIONS AND METHODS FOR INHIBITING EZH2 THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-10-13 US disclosed
WO-2011103016-A2 COMPOSITIONS AND METHODS FOR INHIBITING EZH2 THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-08-25 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-20110251216-A1 COMPOSITIONS AND METHODS FOR INHIBITING EZH2 EZH2, BMI1, EZH1 KCNQ2 4581/4885NPC1 2288/4885RAB9A 2607/4885

“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.