SCHEMBL45448

SCHEMBL45448

O=C(O)c1cc(Nc2ccc(C(F)(F)F)cn2)nn1-c1ncccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 11/20 0.45
RPS6KA3 P51812 1/20 0.43
MAPT P10636 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HCRTR1 O43613 2/20 0.40
TRPA1 O75762 2/20 0.40
HCRTR2 O43614 1/20 0.38
MEN1 O00255 1/20 0.38
PPARG P37231 1/20 0.38
KMT2A Q03164 1/20 0.38
NR2E3 Q9Y5X4 1/20 0.38
NCOR2 Q9Y618 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
SCHEMBL44829 0.89 TRPV1 (0.43) TRPV1RPS6KA3MAPTGSK3AGSK3B
SCHEMBL45449 0.85 TRPV1 (0.43) TRPV1RPS6KA3MAPTGSK3AGSK3B
SCHEMBL10136251 0.77 KCNH2 (0.40) TRPV1RPS6KA3GSK3AGSK3BHCRTR1
SCHEMBL535347 0.77 KLKB1 (0.49) TRPV1MAPTTRPA1MEN1KMT2A
SCHEMBL10118401 0.76 TRPV1 (0.37) TRPV1RPS6KA3MAPTGSK3AGSK3B
Hydrochloric Acid SCHEMBL536232 0.76 KLKB1 (0.48) TRPV1MAPTTRPA1MEN1KMT2A
SCHEMBL10118409 0.76 KCNH2 (0.36) TRPV1RPS6KA3GSK3AGSK3BHCRTR1
SCHEMBL384656 0.73 KMT2A (0.43) MEN1KMT2A
SCHEMBL29558300 0.73 MALT1 (0.40) TRPA1
SCHEMBL958268 0.73 MALT1 (0.40) TRPA1

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 TRPV1 2761/4885RPS6KA3 1653/4885MAPT 4576/4885

“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.