SCHEMBL13615359

SCHEMBL13615359

Cc1nn(C)c(-c2ccccc2)c1C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.67
CYP2C9 P11712 1/20 0.67
CYP2C19 P33261 1/20 0.67
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
PDE10A Q9Y233 2/20 0.47
TSHR P16473 1/20 0.47
POLB P06746 4/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
KDM4E B2RXH2 3/20 0.46
MAPT P10636 2/20 0.46
DHODH Q02127 1/20 0.45
GAA P10253 1/20 0.44
CDK8 P49336 2/20 0.44
ACVR1 Q04771 1/20 0.44
CSF1R P07333 1/20 0.43
FGFR1 P11362 1/20 0.43
FLT1 P17948 1/20 0.43
KDR P35968 1/20 0.43

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
SCHEMBL20673417 0.88 CYP2C9 (0.53) CYP1A2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL21981602 0.85 CYP1A2 (0.50) CYP1A2CYP2C9CYP2C19KMT2AKDM4E
SCHEMBL16060163 0.85 CYP1A2 (0.50) CYP1A2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL20659148 0.84 LMNA (0.57) CYP1A2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL4343263 0.83 BACE1 (0.52) CYP1A2CYP2C9CYP2C19KMT2APOLB
SCHEMBL19209495 0.82 TSHR (0.57) CYP2C9CYP2C19MEN1KMT2ATSHR
SCHEMBL16061971 0.81 ALDH1A1 (0.49) CYP1A2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL21713073 0.80 CYP1A2 (0.44) CYP1A2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL14132434 0.80 CYP2C9 (1.00) CYP1A2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL12543097 0.80 KMT2A (0.55) CYP1A2CYP2C9CYP2C19MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200172491-A1 SUBSTITUTED 5-(HET-)ARYLPYRAZOLAMIDES AND SALTS THEREOF AND THEIR USE AS HERBICIDAL ACTIVE SUBSTANCES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-06-04 US disclosed
EP-3655393-A1 SUBSTITUTED 5-(HET-)ARYLPYRAZOLAMIDES AND SALTS THEREOF AND THEIR USE AS HERBICIDAL ACTIVE SUBSTANCES Bayer CropScience Aktiengesellschaft (DE) 2020-05-27 EP disclosed
CN-110891941-A Substituted 5- (hetero) arylpyrazolamides and their salts and their use as herbicidally active substances 拜耳作物科学股份公司 2020-03-17 CN disclosed
WO-2019016069-A1 SUBSTITUTED 5-(HET-)ARYLPYRAZOLAMIDES AND SALTS THEREOF AND THEIR USE AS HERBICIDAL ACTIVE SUBSTANCES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-01-24 WO disclosed
US-7612069-B2 Acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-03 US disclosed
US-7273882-B2 Aminoacetamide acyl guanidines as β-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-25 US disclosed
US-20070015754-A1 Acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-01-18 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 (2 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-20200172491-A1 SUBSTITUTED 5-(HET-)ARYLPYRAZOLAMIDES AND SALTS THEREOF AND THEIR USE AS HERBICIDAL ACTIVE SUBSTANCES CYP4Z1, CYP3A5, CYP4X1 CYP1A2 9/4885CYP2C9 36/4885CYP2C19 48/4885
US-20070015754-A1 Acyl guanidines as beta-secretase inhibitors BACE1, APP, BACE2 CYP1A2 2208/4885CYP2C9 2971/4885CYP2C19 3533/4885

“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.