SCHEMBL15210657

SCHEMBL15210657

CCCn1nnnc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.72
CYP2C9 P11712 1/20 0.72
HPGD P15428 1/20 0.72
CYP2C19 P33261 1/20 0.72
RAB9A P51151 4/20 0.66
ALDH1A1 P00352 4/20 0.64
HTT P42858 3/20 0.53
MAPT P10636 7/20 0.52
KMT2A Q03164 1/20 0.52
NPC1 O15118 3/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
LMNA P02545 2/20 0.50
KDM4E B2RXH2 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
POLB P06746 2/20 0.49
MCL1 Q07820 1/20 0.49
GAA P10253 1/20 0.49
TP53 P04637 1/20 0.49

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
SCHEMBL15210526 0.86 ALDH1A1 (0.65) RAB9AALDH1A1MAPTKMT2ANPC1
SCHEMBL153191 0.85 ALDH1A1 (0.83) CYP1A2CYP2C9HPGDCYP2C19RAB9A
SCHEMBL31001629 0.82 CYP2C19 (0.73) CYP1A2CYP2C9HPGDCYP2C19RAB9A
SCHEMBL12492183 0.78 ALDH1A1 (1.00) CYP1A2CYP2C9HPGDCYP2C19RAB9A
SCHEMBL15326531 0.74 ALDH1A1 (0.65) CYP1A2CYP2C9HPGDCYP2C19RAB9A
SCHEMBL3099561 0.72 RAB9A (0.62) HPGDRAB9AALDH1A1HTTMAPT
SCHEMBL29848625 0.71 ALDH1A1 (0.68) CYP1A2CYP2C9HPGDCYP2C19RAB9A
SCHEMBL25394310 0.70 MAPT (0.71) CYP1A2CYP2C9CYP2C19RAB9AALDH1A1
SCHEMBL28044831 0.70 MAPT (0.84) CYP1A2CYP2C9CYP2C19RAB9AALDH1A1
SCHEMBL7566341 0.70 MAPT (0.66) HPGDRAB9AALDH1A1HTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150031537-A1 HERBICIDALLY ACTIVE 4-NITRO-SUBSTITUTED N-(TETRAZOL-5-YL)-, N-(TRIAZOL-5-YL)-, AND N-(1,3,4-OXADIAZOL-2-YL)ARYL CARBOXYLIC ACID AMIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-01-29 US claimed
EP-2817298-A1 HERBICIDALLY ACTIVE 4-NITRO-SUBSTITUTED N-(TETRAZOL-5-YL)-, N-(TRIAZOL-5-YL)-, AND N-(1,3,4-OXADIAZOL-2-YL)ARYL CARBOXYLIC ACID AMIDES Bayer Intellectual Property GmbH (DE) 2014-12-31 EP claimed
WO-2013124245-A1 HERBICIDALLY ACTIVE 4-NITRO-SUBSTITUTED N-(TETRAZOL-5-YL)-, N-(TRIAZOL-5-YL)-, AND N-(1,3,4-OXADIAZOL-2-YL)ARYL CARBOXYLIC ACID AMIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-29 WO claimed
US-9169219-B2 Herbicidally active 4-nitro-substituted N-(tetrazol-5-yl)-, N-(triazol-5-yl)-, and N-(1,3,4-0XADIAZOL-2-yl)aryl carboxylic acid amides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-10-27 US disclosed
US-20150031537-A1 HERBICIDALLY ACTIVE 4-NITRO-SUBSTITUTED N-(TETRAZOL-5-YL)-, N-(TRIAZOL-5-YL)-, AND N-(1,3,4-OXADIAZOL-2-YL)ARYL CARBOXYLIC ACID AMIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-01-29 US disclosed
EP-2817298-A1 HERBICIDALLY ACTIVE 4-NITRO-SUBSTITUTED N-(TETRAZOL-5-YL)-, N-(TRIAZOL-5-YL)-, AND N-(1,3,4-OXADIAZOL-2-YL)ARYL CARBOXYLIC ACID AMIDES Bayer Intellectual Property GmbH (DE) 2014-12-31 EP disclosed
WO-2013124245-A1 HERBICIDALLY ACTIVE 4-NITRO-SUBSTITUTED N-(TETRAZOL-5-YL)-, N-(TRIAZOL-5-YL)-, AND N-(1,3,4-OXADIAZOL-2-YL)ARYL CARBOXYLIC ACID AMIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-29 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-20150031537-A1 HERBICIDALLY ACTIVE 4-NITRO-SUBSTITUTED N-(TETRAZOL-5-YL)-, N-(TRIAZOL-5-YL)-, AND N-(1,3,4-OXADIAZOL-2-YL)ARYL CARBOXYLIC ACID AMIDES AADAC, NAT1, AOX1 CYP1A2 65/4885CYP2C9 101/4885HPGD 1021/4885

“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.