SCHEMBL1430672

SCHEMBL1430672

Cc1nn(-c2ccc(Cl)nn2)c(-c2ccccc2)c1C(C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALOX5 P09917 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
ALDH1A1 P00352 2/20 0.36
PTGS2 P35354 2/20 0.35
PTGS1 P23219 1/20 0.35
PANK3 Q9H999 4/20 0.35
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RECQL P46063 1/20 0.32
SLC34A1 Q06495 1/20 0.32

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
SCHEMBL1430458 0.78 SMN1; SMN2 (0.49) RAB9ASMN1; SMN2KDM4ECYP1A2CYP2C9
SCHEMBL1431030 0.70 CYP1A2 (0.37) SMN1; SMN2CYP1A2CYP2C9CYP2C19PTGS2
SCHEMBL1430934 0.70 CYP1A2 (0.37) RAB9ASMN1; SMN2KDM4ECYP1A2CYP2C9
SCHEMBL2035679 0.68 BRD4 (0.42) SMN1; SMN2
SCHEMBL2534665 0.68 TP53 (0.36) RAB9ASMN1; SMN2KDM4ECYP1A2CYP2C9
SCHEMBL2010705 0.68 CNR2 (0.35) SMN1; SMN2KDM4EALDH1A1SLC34A1
SCHEMBL1360293 0.68 CNR2 (0.36) RAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL1359451 0.68 CNR2 (0.38) SMN1; SMN2ALDH1A1HTT
SCHEMBL11253413 0.67 TDP1 (0.53) RAB9ASMN1; SMN2KDM4ECYP1A2CYP2C9
SCHEMBL11541518 0.67 KMT2A (0.50) SMN1; SMN2CYP1A2CYP2C9CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2300458-B1 SUBSTITUTED 1-(DIAZINYL) PYRAZOLE-4-YL-ACETIC ACIDS, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2013-03-13 EP disclosed
US-8298994-B2 Substituted 1-(diazinyl)pyrazol-4-ylacetic acids, processes for their preparation and their use as herbicides and plant growth regulators BAYER CROPSCIENCE AG (DE) 2012-10-30 US disclosed
EP-2300458-A1 SUBSTITUTED 1-(DIAZINYL) PYRAZOLE-4-YL-ACETIC ACIDS, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS Bayer CropScience Aktiengesellschaft (DE) 2011-03-30 EP disclosed
US-20100160164-A1 SUBSTITUTED 1-(DIAZINYL)PYRAZOL-4-YLACETIC ACIDS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-06-24 US disclosed
EP-2135865-A1 Substituted 1-(diazinyl)pyrazol-4-yl acetic acids, method for their production and their use as herbicides and plant growth regulators Bayer CropScience AG (DE) 2009-12-23 EP disclosed
WO-2009152995-A1 SUBSTITUTED 1-(DIAZINYL) PYRAZOLE-4-YL-ACETIC ACIDS, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2009-12-23 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-20100160164-A1 SUBSTITUTED 1-(DIAZINYL)PYRAZOL-4-YLACETIC ACIDS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS DDT, DDC, HPD RAB9A 2636/4885SMN1; SMN2 4169/4885KDM4E 1326/4885

“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.