SCHEMBL3563593

SCHEMBL3563593

COC(=O)c1c[nH]cc(C(=O)O)c1=O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
NOTUM Q6P988 1/20 0.47
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 2/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.41
NR4A2 P43354 5/20 0.40
CREBBP Q92793 1/20 0.40
TSHR P16473 3/20 0.38
LMNA P02545 1/20 0.38
BRD4 O60885 1/20 0.38
CFTR P13569 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALOX15 P16050 1/20 0.37
MAP2K1 Q02750 1/20 0.37

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
SCHEMBL3563589 0.92 MAPT (0.55) MAPTALDH1A1KMT2AKDM4EGLA
SCHEMBL261551 0.85 NOTUM (0.52) MAPTNOTUMALDH1A1KMT2AKDM4E
SCHEMBL15758318 0.82 NOTUM (0.56) NOTUMALDH1A1KMT2AKDM4EHPGD
SCHEMBL69740 0.80 NR4A2 (0.48) MAPTALDH1A1KDM4EGLAGAA
SCHEMBL11933614 0.78 MAPT (0.43) MAPTALDH1A1KMT2AKDM4EGLA
SCHEMBL9148730 0.74 MAPT (0.43) MAPTALDH1A1KMT2AKDM4EGLA
SCHEMBL30819290 0.73 KDM4E (0.46) MAPTALDH1A1KDM4EHPGDNR4A2
SCHEMBL29772061 0.72 NOTUM (0.71) NOTUMALDH1A1KMT2AKDM4EGAA
SCHEMBL1155989 0.72 NOTUM (0.58) MAPTNOTUMALDH1A1KMT2AKDM4E
SCHEMBL4308193 0.72 CYP1A2 (0.50) MAPTALDH1A1KDM4EGLAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105793254-B Azaquinazoline carboxamide derivatives 默克专利有限公司 2020-10-23 CN disclosed
US-7659307-B2 Nonphytotoxic; 4-Bromo-3-methoxy-N-4-[4(trifluoromethyl)phenoxy]phenyl-thiophene-2-carboxamide; 4-[(Allyloxycarbonyl)amino]-3-methoxy-N-4-[4-(trifluoromethyl)phenoxy]phenyl-thiophene-2-carboxamide BAYER CROPSCIENCE S.A. (FR) 2010-02-09 US disclosed
US-20060205732-A1 Heterocyclic carboxamides and their use as fungicides BAYER SAS (FR) 2006-09-14 US disclosed
US-7084163-B2 Heterocyclic carboxamides and their use as fungicides BAYER CROPSCIENCE S.A. (FR) 2006-08-01 US disclosed
US-20040152698-A1 Heterocyclic carboxamides and their use as fungicides BAYER SAS (FR) 2004-08-05 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-20040152698-A1 Heterocyclic carboxamides and their use as fungicides CYP1A2, CYP4X1, CYCS MAPT 4778/4885NOTUM 733/4885ALDH1A1 3137/4885
US-20060205732-A1 Heterocyclic carboxamides and their use as fungicides CYP4X1, CYP1A2, CYCS MAPT 4693/4885NOTUM 791/4885ALDH1A1 2827/4885

“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.