SCHEMBL45195

SCHEMBL45195

O=C(c1ccc(C(F)(F)F)nc1)c1cc(C(=O)O)n(-c2ncccc2Cl)n1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.39
RORC P51449 6/20 0.39
KLKB1 P03952 2/20 0.36
CYP2C9 P11712 1/20 0.36
DGAT2 Q96PD7 2/20 0.36
CCR9 P51686 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
TRPA1 O75762 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
PPARG P37231 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL44880 0.88 OPRL1 (0.41) OPRL1DGAT2TRPA1TRPV1KDM4E
SCHEMBL45196 0.86 OPRL1 (0.37) OPRL1RORCCYP2C9DGAT2MRGPRX4
SCHEMBL535347 0.82 KLKB1 (0.49) OPRL1RORCKLKB1TRPA1TRPV1
Hydrochloric Acid SCHEMBL536232 0.81 KLKB1 (0.48) OPRL1RORCKLKB1TRPA1TRPV1
SCHEMBL17417221 0.79 MRGPRX4 (0.41) OPRL1KLKB1DGAT2CCR9MRGPRX4
SCHEMBL384656 0.78 KMT2A (0.43) KDM4EMEN1KMT2A
SCHEMBL46957 0.77 OPRL1 (0.35) OPRL1DGAT2TRPV1
SCHEMBL10118297 0.76 OPRL1 (0.36) OPRL1DGAT2
SCHEMBL13483398 0.76 GRN (0.59) CCR9TRPA1TRPV1KDM4E
SCHEMBL27917418 0.75 KMT2A (0.38) TRPA1MEN1ALDH1A1KMT2A

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-2582688-B1 ANTHRANILIC ACID DIAMIDE DERIVATIVES BAYER IP GMBH (DE) 2015-10-07 EP disclosed
US-8791139-B2 Anthranilic diamide derivatives BAYER CROPSCIENCE AG (DE) 2014-07-29 US disclosed
EP-2582688-A1 ANTHRANILIC ACID DIAMIDE DERIVATIVES Bayer Intellectual Property GmbH (DE) 2013-04-24 EP disclosed
CN-103068813-A Anthranilic acid diamide derivatives BAYER CROPSCIENCE AG 2013-04-24 CN disclosed
US-20120015980-A1 ANTHRANILIC DIAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2012-01-19 US disclosed
WO-2011157654-A1 ANTHRANILIC ACID DIAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2011-12-22 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-20120015980-A1 ANTHRANILIC DIAMIDE DERIVATIVES DDT, QDPR, ANTXR2 OPRL1 3656/4885RORC 2789/4885KLKB1 4532/4885

“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.