SCHEMBL9713774

SCHEMBL9713774

COc1cccc(OC)c1C(=O)Nc1nc[nH]n1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
KDM4E B2RXH2 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TSHR P16473 1/20 0.47
ATM Q13315 1/20 0.46

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
SCHEMBL11609173 0.84 ADORA3 (0.60) SMN1; SMN2TP53MAPTRAB9AHSD17B10
SCHEMBL13893378 0.77 KMT2A (0.57) SMN1; SMN2TP53MAPTRAB9AALDH1A1
SCHEMBL4395418 0.77 ALPL (0.57) SMN1; SMN2CYP3A4MAPTRAB9AALDH1A1
SCHEMBL29164743 0.76 TYK2 (0.56) SMN1; SMN2CYP3A4MAPTRAB9ATSHR
SCHEMBL13893379 0.75 NPC1 (0.60) SMN1; SMN2TP53MAPTRAB9AALDH1A1
SCHEMBL13893447 0.75 BRD4 (0.57) SMN1; SMN2TP53MAPTRAB9AALDH1A1
SCHEMBL7175136 0.75 CYP1A2 (0.58) SMN1; SMN2TP53CYP1A2CYP3A4CYP2C19
SCHEMBL13934538 0.73 ALPL (0.47) SMN1; SMN2TP53MAPTRAB9AALDH1A1
SCHEMBL10575449 0.73 F2 (0.56) CYP1A2RAB9A
SCHEMBL22030106 0.72 SMN1; SMN2 (0.38) SMN1; SMN2MAPTALDH1A1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2773625-B1 5-PHENYL SUBSTITUTED N-(TETRAZOL-5-YL)- AND N-(TRIAZOL-5-YL)ARYL CARBOXYLIC ACID AMIDES AND USE OF SAME AS HERBICIDES BAYER IP GMBH (DE) 2016-08-24 EP disclosed
US-9259001-B2 5-phenyl-substituted N-(tetrazol-5-yl) aryl carboxylic acid amides and N-(triazol-5-yl) aryl carboxylic acid amides, and use thereof as herbicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-16 US disclosed
US-20140296069-A1 5-PHENYL-SUBSTITUTED N-(TETRAZOL-5-YL) ARYL CARBOXYLIC ACID AMIDES AND N-(TRIAZOL-5-YL) ARYL CARBOXYLIC ACID AMIDES, AND USE THEREOF AS HERBICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2014-10-02 US disclosed
EP-2773625-A1 5-PHENYL-SUBSTITUTED N-(TETRAZOL-5-YL) ARYL CARBOXYLIC ACID AMIDES AND N-(TRIAZOL-5-YL) ARYL CARBOXYLIC ACID AMIDES, AND USE THEREOF AS HERBICIDES Bayer Intellectual Property GmbH (DE) 2014-09-10 EP disclosed
CN-104011031-A 5-phenyl-substituted N-(tetrazol-5-yl) aryl carboxylic acid amides and N-(triazol-5-yl) aryl carboxylic acid amides, and use thereof as herbicides BAYER IP GMBH 2014-08-27 CN disclosed
WO-2013064457-A1 5-PHENYL-SUBSTITUTED N-(TETRAZOL-5-YL) ARYL CARBOXYLIC ACID AMIDES AND N-(TRIAZOL-5-YL) ARYL CARBOXYLIC ACID AMIDES, AND USE THEREOF AS HERBICIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-10 WO disclosed
US-5086184-A Herbicides DOWELANCO (US) 1992-02-04 US disclosed
US-4943634-A HERBICIDES ELI LILLY AND COMPANY (US) 1990-07-24 US disclosed
US-4801718-A HERBICIDES ELI LILLY AND COMPANY (US) 1989-01-31 US disclosed
US-4636243-A HERBICIDES ISOXAZOLES ELI LILLY AND COMPANY (US) 1987-01-13 US disclosed
US-4515625-A HERBICIDES ELI LILLY AND COMPANY (US) 1985-05-07 US disclosed
US-4416683-A HERBICIDES ELI LILLY AND COMPANY (US) 1983-11-22 US disclosed
EP-0049071-A1 N-arylbenzamide derivatives ELI LILLY AND COMPANY (US) 1982-04-07 EP 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-20140296069-A1 5-PHENYL-SUBSTITUTED N-(TETRAZOL-5-YL) ARYL CARBOXYLIC ACID AMIDES AND N-(TRIAZOL-5-YL) ARYL CARBOXYLIC ACID AMIDES, AND USE THEREOF AS HERBICIDES AADAC, NAT1, PAOX SMN1; SMN2 4553/4885TP53 3860/4885CYP1A2 86/4885

“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.