SCHEMBL174691

SCHEMBL174691

Cc1nn(C)c(-c2ccc(F)cc2Cl)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
HSD11B1 P28845 2/20 0.43
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP3A4 P08684 2/20 0.40
GRM2 Q14416 1/20 0.40
DHODH Q02127 1/20 0.40
IGF1R P08069 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39

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
SCHEMBL20659514 0.90 MAPT (0.43) P2RX7KDM4EMAPTHSD11B1POLB
SCHEMBL20659681 0.86 LMNA (0.54) KDM4EMAPTHSD11B1LMNA
SCHEMBL175155 0.86 ALDH1A1 (0.44) P2RX7HSD11B1LMNACYP1A2CYP2C9
SCHEMBL20659830 0.84 P2RX7 (0.47) P2RX7POLBLMNAGRM2
SCHEMBL174763 0.83 P2RX7 (0.45) P2RX7MAPTHSD11B1POLBLMNA
SCHEMBL12543097 0.81 KMT2A (0.55) KDM4EMAPTHSD11B1POLBLMNA
SCHEMBL20673409 0.81 CYP1A2 (0.46) P2RX7KDM4EMAPTHSD11B1LMNA
SCHEMBL14990081 0.79 MAPK14 (0.45) P2RX7MAPTHSD11B1LMNACYP1A2
SCHEMBL173503 0.78 HSD11B1 (0.47) P2RX7HSD11B1GRM2IGF1RSCN10A
SCHEMBL173927 0.78 CYP1A2 (0.48) P2RX7MAPTHSD11B1LMNACYP1A2

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 13 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
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
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-9131693-B2 Fungicidal pyrazoles E I DU PONT DE NEMOURS AND COMPANY (US) 2015-09-15 US disclosed
EP-2611297-B1 FUNGICIDAL PYRAZOLES DU PONT (US) 2015-06-17 EP disclosed
US-20140221448-A1 FUNGICIDAL PYRAZOLES E I DU PONT DE NEMOURS AND COMPANY (US) 2014-08-07 US disclosed
US-8754115-B2 Fungicidal pyrazoles E I DU PONT DE NEMOURS AND COMPANY (US) 2014-06-17 US disclosed
EP-2611297-A1 FUNGICIDAL PYRAZOLES E.I. Du Pont De Nemours And Company (US) 2013-07-10 EP disclosed
US-20130143940-A1 FUNGICIDAL PYRAZOLES E I DU PONT DE NEMOURS AND COMPANY (US) 2013-06-06 US disclosed
WO-2012030922-A1 FUNGICIDAL PYRAZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-03-08 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 (3 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 P2RX7 1023/4885KDM4E 778/4885MAPT 4681/4885
US-20140221448-A1 FUNGICIDAL PYRAZOLES CYP1A1, CYP1B1, CYP4X1 P2RX7 316/4885KDM4E 1961/4885MAPT 3611/4885
US-20130143940-A1 FUNGICIDAL PYRAZOLES CYP1A1, CYP1B1, CYP4X1 P2RX7 316/4885KDM4E 1961/4885MAPT 3611/4885

“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.