SCHEMBL1430458

SCHEMBL1430458

Cc1nn(-c2ccc(Cl)nn2)c(-c2ccccc2)c1CC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
RAB9A P51151 2/20 0.49
KDM4E B2RXH2 2/20 0.44
PTGDR2 Q9Y5Y4 9/20 0.43
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
P2RX7 Q99572 3/20 0.40
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL1195159 0.79 CYP2C9 (0.62) SMN1; SMN2RAB9APTGDR2CYP1A2CYP2C9
SCHEMBL11260109 0.79 FFAR4 (0.47) SMN1; SMN2RAB9AKDM4EPTGDR2CYP1A2
SCHEMBL11242627 0.79 CYP1A2 (0.52) SMN1; SMN2RAB9AKDM4EPTGDR2CYP1A2
SCHEMBL1430672 0.78 RAB9A (0.48) SMN1; SMN2RAB9AKDM4ECYP1A2CYP2C9
SCHEMBL11247967 0.77 CYP2C9 (0.56) SMN1; SMN2RAB9APTGDR2CYP1A2CYP2C9
SCHEMBL11255264 0.77 CYP1A2 (0.50) RAB9AKDM4EPTGDR2CYP1A2CYP2C9
SCHEMBL11252577 0.77 CYP1A2 (0.52) SMN1; SMN2RAB9AKDM4ECYP1A2CYP2C9
SCHEMBL1430497 0.76 PTGDR2 (0.43) SMN1; SMN2RAB9APTGDR2CYP1A2CYP2C9
SCHEMBL11247972 0.75 PTGDR2 (0.47) SMN1; SMN2RAB9APTGDR2CYP1A2CYP2C9
SCHEMBL3833333 0.72 CYP1A2 (0.50) SMN1; SMN2RAB9AKDM4EPTGDR2CYP1A2

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 SMN1; SMN2 4169/4885RAB9A 2636/4885KDM4E 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.