SCHEMBL3536841

SCHEMBL3536841

Cc1cc(C(F)(F)F)nc(C)c1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
CDK8 P49336 1/20 0.43
CDK19 Q9BWU1 1/20 0.43
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
CYP1A2 P05177 2/20 0.38
LMNA P02545 4/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CCR5 P51681 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL29489594 1.00 POLB (0.46) POLBCDK8CDK19HSP90AA1HSP90AB1
SCHEMBL25878287 0.84 SMN1; SMN2 (0.38) CDK8CDK19HSP90AA1HSP90AB1LMNA
SCHEMBL6582434 0.84 ALDH1A1 (0.44) POLBCDK8CDK19HSP90AA1HSP90AB1
SCHEMBL3546719 0.81 POLB (0.63) POLBCDK8CDK19HSP90AA1HSP90AB1
SCHEMBL23269424 0.80 CFTR (0.38) POLBCDK8CDK19HSP90AA1HSP90AB1
SCHEMBL3539265 0.78 ALDH1A1 (0.51) POLBLMNAMEN1KMT2AMAPT
SCHEMBL14686091 0.76 CDK8 (0.37) POLBCDK8CDK19HSP90AA1HSP90AB1
SCHEMBL28491288 0.76 CDK8 (0.47) CDK8CDK19HSP90AA1HSP90AB1LMNA
SCHEMBL22717021 0.76 CDK8 (0.47) POLBCDK8CDK19HSP90AA1HSP90AB1
SCHEMBL14353515 0.76 POLB (0.69) POLBCYP1A2LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106715412-B Piperidinone herbicides FMC公司 2019-11-26 CN disclosed
CN-106232594-B Substituted 2-pyrimidinyl oxy benzene compound herbicide FMC公司 2019-08-23 CN disclosed
CN-107635974-A 2- (phenoxy or phenylthio) pyrimidine derivatives as herbicides 杜邦公司 2018-01-26 CN disclosed
CN-107531658-A Butyrolactone as herbicides 杜邦公司 2018-01-02 CN disclosed
CN-107250134-A It is used as the substituted 2-pyrimidinyl oxy pyridine derivate of herbicide 杜邦公司 2017-10-13 CN disclosed
CN-106715412-A Piperidinone herbicides 杜邦公司 2017-05-24 CN disclosed
CN-106687452-A Pyridones as herbicides 纳幕尔杜邦公司 2017-05-17 CN disclosed
CN-106659159-A Herbicidal triazoles 杜邦公司 2017-05-10 CN disclosed
CN-106488913-A Bis (aryl) catechol derivatives as herbicides 纳幕尔杜邦公司 2017-03-08 CN disclosed
CN-106458926-A Pyridazinone herbicides 杜邦公司 2017-02-22 CN disclosed
US-7851638-B2 Cyclohexanesulfonyl derivatives as GLYT1 inhibitors to treat schizophrenia MERCK SHARP & DOHME LIMITED (GB) 2010-12-14 US disclosed
US-20100029726-A1 CYCLOHEXANESULFONYL DERIVATIVES AS GLYT1 INHIBITORS TO TREAT SCHIZOPHRENIA MERCK SHARP & DOHME (UK) LIMITED (GB) 2010-02-04 US 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-20100029726-A1 CYCLOHEXANESULFONYL DERIVATIVES AS GLYT1 INHIBITORS TO TREAT SCHIZOPHRENIA GLRA1, GNMT, MGAT1 POLB 4216/4885CDK8 4311/4885CDK19 3939/4885

“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.