SCHEMBL153191

SCHEMBL153191

CCCn1nnnc1NC(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.83

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.83
CYP1A2 P05177 2/20 0.81
CYP2C9 P11712 2/20 0.81
CYP2C19 P33261 2/20 0.81
HPGD P15428 2/20 0.81
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
TP53 P04637 1/20 0.61
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
POLB P06746 3/20 0.57
GAA P10253 1/20 0.57
TDP1 Q9NUW8 2/20 0.56
LMNA P02545 2/20 0.56
KDM4E B2RXH2 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
THRB P10828 1/20 0.50
RECQL P46063 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL12492183 0.91 ALDH1A1 (1.00) ALDH1A1CYP1A2CYP2C9CYP2C19HPGD
SCHEMBL31001629 0.85 CYP2C19 (0.73) ALDH1A1CYP1A2CYP2C9CYP2C19HPGD
SCHEMBL15210657 0.85 CYP1A2 (0.72) ALDH1A1CYP1A2CYP2C9CYP2C19HPGD
SCHEMBL149178 0.84 POLB (0.71) ALDH1A1CYP1A2CYP2C9CYP2C19HPGD
SCHEMBL15324846 0.81 ALDH1A1 (0.68) ALDH1A1CYP1A2CYP2C9CYP2C19HPGD
SCHEMBL29848625 0.81 ALDH1A1 (0.68) ALDH1A1CYP1A2CYP2C9CYP2C19HPGD
SCHEMBL15326531 0.79 ALDH1A1 (0.65) ALDH1A1CYP1A2CYP2C9CYP2C19HPGD
SCHEMBL18932461 0.78 CYP1A2 (0.66) ALDH1A1CYP1A2CYP2C9CYP2C19HPGD
SCHEMBL15817374 0.75 CYP2C19 (0.59) ALDH1A1CYP1A2CYP2C9CYP2C19HPGD
SCHEMBL15323648 0.75 KDM4E (0.73) ALDH1A1CYP1A2CYP2C9CYP2C19HPGD

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
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
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
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

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-20120058892-A1 N-(TETRAZOL-5-YL)- AND N-(TRIAZOL-5-YL)ARYLCARBOXAMIDES AND THEIR USE AS HERBICIDES ZYX, NAT1, CYCS ALDH1A1 1447/4885CYP1A2 80/4885CYP2C9 130/4885

“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.