SCHEMBL147094

SCHEMBL147094

Cc1nc(C(F)(F)F)ccc1C(=O)Nc1nnnn1C

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
GAA P10253 1/20 0.53
POLB P06746 1/20 0.52
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CYP2C9 P11712 1/20 0.46
STING1 Q86WV6 1/20 0.44

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
SCHEMBL15786318 0.87 POLB (0.57) LMNAGAAPOLBCYP2C9
SCHEMBL29827351 0.87 POLB (0.51) LMNAGAAPOLBCYP2C9STING1
SCHEMBL16840518 0.85 LMNA (0.41) LMNAGAAPOLBNPC1RAB9A
SCHEMBL19979903 0.83 POLB (0.47) LMNAGAAPOLBCYP2C9
SCHEMBL19980199 0.82 POLB (0.45) LMNAGAAPOLBCYP2C9STING1
SCHEMBL28780652 0.82 POLB (0.46) LMNAGAAPOLBNPC1RAB9A
SCHEMBL19980215 0.82 POLB (0.44) LMNAGAAPOLBCYP2C9
SCHEMBL19980127 0.82 POLB (0.44) LMNAGAAPOLBCYP2C9STING1
SCHEMBL19980176 0.82 POLB (0.44) LMNAGAAPOLBCYP2C9STING1
SCHEMBL19980110 0.82 POLB (0.44) LMNAGAAPOLBCYP2C9STING1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9512113-B2 N-(tetrazol-5-yl)- and N-(triazol-5-yl)arylcarboxylic thioamides and use thereof as herbicides BAYER CROPSCIENCE AG (DE) 2016-12-06 US disclosed
US-9512113-B2 N-(tetrazol-5-yl)- and N-(triazol-5-yl)arylcarboxylic thioamides and use thereof as herbicides BAYER CROPSCIENCE AG (DE) 2016-12-06 US disclosed
EP-2855437-B1 N-(TETRAZOL-5-YL)- AND N-(TRIAZOL-5-YL)ARYL CARBOXYLIC ACID ATHIOAMIDES AND USE OF SAME AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2016-03-23 EP disclosed
US-20150175588-A1 N-(TETRAZOL-5-YL)- AND N-(TRIAZOL-5-YL)ARYLCARBOXYLIC THIOAMIDES AND USE THEREOF AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2015-06-25 US disclosed
US-20150175588-A1 N-(TETRAZOL-5-YL)- AND N-(TRIAZOL-5-YL)ARYLCARBOXYLIC THIOAMIDES AND USE THEREOF AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2015-06-25 US disclosed
EP-2611785-B1 N-(TETRAZOL-5-YL)- AND N-(TRIAZOL-5-YL)ARYL CARBOXYLIC ACID AMIDES AND USE OF SAME AS HERBICIDES BAYER IP GMBH (DE) 2014-06-04 EP disclosed
EP-2611785-A1 N-(TETRAZOL-5-YL)- AND N-(TRIAZOL-5-YL)ARYLCARBOXAMIDES AND USE THEREOF AS HERBICIDES Bayer Intellectual Property GmbH (DE) 2013-07-10 EP disclosed
US-8481749-B2 N-(tetrazol-5-yl)- and N-(triazol-5-yl)arylcarboxamides and their use as herbicides BAYER CROPSCIENCE AG (DE) 2013-07-09 US disclosed
US-20120058892-A1 N-(TETRAZOL-5-YL)- AND N-(TRIAZOL-5-YL)ARYLCARBOXAMIDES AND THEIR USE AS HERBICIDES BAYER CROPSCIENCE AG (US) 2012-03-08 US disclosed
WO-2012028579-A1 N-(TETRAZOL-5-YL)- AND N-(TRIAZOL-5-YL)ARYLCARBOXAMIDES AND USE THEREOF AS HERBICIDES BAYER CROPSCIENCE AG (DE) 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 (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-20150175588-A1 N-(TETRAZOL-5-YL)- AND N-(TRIAZOL-5-YL)ARYLCARBOXYLIC THIOAMIDES AND USE THEREOF AS HERBICIDES NAT1, TST, AADAC LMNA 3507/4885GAA 2014/4885POLB 2938/4885
US-20120058892-A1 N-(TETRAZOL-5-YL)- AND N-(TRIAZOL-5-YL)ARYLCARBOXAMIDES AND THEIR USE AS HERBICIDES ZYX, NAT1, CYCS LMNA 1711/4885GAA 1547/4885POLB 2596/4885

“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.