SCHEMBL159056

SCHEMBL159056

NC(=O)COc1ccc2ncccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
HTT P42858 4/20 0.49
ALOX15 P16050 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 5/20 0.48
NPC1 O15118 3/20 0.48
POLB P06746 2/20 0.48
PTPN7 P35236 1/20 0.47
TSHR P16473 2/20 0.47
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 1/20 0.47
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
CASP1 P29466 1/20 0.47
ATM Q13315 1/20 0.47
CYP3A4 P08684 2/20 0.47
CYP1A2 P05177 1/20 0.47

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
SCHEMBL28749701 0.88 CYP3A4 (0.56) ALDH1A1HTTMEN1KMT2AMAPT
SCHEMBL7978731 0.86 PTPN7 (0.66) ALDH1A1HTTALOX15MEN1KMT2A
SCHEMBL3171559 0.81 ALDH1A1 (0.67) ALDH1A1HTTALOX15MEN1KMT2A
SCHEMBL30439679 0.80 PTPN7 (0.71) ALDH1A1HTTMEN1KMT2AMAPT
SCHEMBL1478177 0.80 PTPN7 (0.71) ALDH1A1HTTMEN1KMT2AMAPT
SCHEMBL14816245 0.80 KDM4E (0.60) ALDH1A1HTTALOX15MAPTHSD17B10
SCHEMBL6802001 0.80 RAB9A (0.50) MEN1KMT2APOLBPTPN7TSHR
SCHEMBL27680141 0.79 AGXT (0.61) ALDH1A1HTTALOX15MEN1KMT2A
SCHEMBL27657434 0.78 ALDH1A1 (0.62) ALDH1A1HTTALOX15MEN1KMT2A
Hydrochloric Acid SCHEMBL27898425 0.78 AGXT (0.62) ALDH1A1HTTALOX15MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3590340-B1 INTERMEDIATES FOR THE SYNTHESIS OF FUNGICIDAL PYRAZOLES FMC CORP (US) 2023-11-15 EP disclosed
US-20180310562-A1 FUNGICIDAL PYRAZOLE MIXTURES FMC CORP (US) 2018-11-01 US disclosed
US-10015966-B2 Fungicidal pyrazole mixtures E I DU PONT DE NEMOURS AND COMPANY (US) 2018-07-10 US disclosed
EP-2809157-B1 FUNGICIDAL PYRAZOLE MIXTURES DU PONT (US) 2017-09-06 EP disclosed
US-20170150719-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES FMC CORPORATION 2017-06-01 US disclosed
US-9596853-B2 Fungicidal pyrazoles and their mixtures E I DU PONT DE NEMOURS AND COMPANY (US) 2017-03-21 US disclosed
US-20150305339-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES FMC CORPORATION 2015-10-29 US disclosed
WO-2015157005-A1 SUBSTITUTED TOLYL FUNGICIDE MIXTURES E I DU PONT DE NEMOURS AND COMPANY (US) 2015-10-15 WO disclosed
US-9107412-B2 Fungicidal pyrazoles and their mixtures E I DU PONT DE NEMOURS AND COMPANY (US) 2015-08-18 US disclosed
EP-2809157-A2 FUNGICIDAL PYRAZOLE MIXTURES E. I. Du Pont de Nemours and Company (US) 2014-12-10 EP disclosed
WO-2014130409-A2 FUNGICIDAL PYRAZOLE MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2014-08-28 WO disclosed
WO-2013126283-A1 FUNGICIDAL PYRAZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2013-08-29 WO disclosed
WO-2013116251-A2 FUNGICIDAL PYRAZOLE MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2013-08-08 WO disclosed
EP-2611296-A2 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES E.I. Du Pont De Nemours And Company (US) 2013-07-10 EP disclosed
US-20130129839-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES E I DU PONT DE NEMOURS AND COMPANY (US) 2013-05-23 US disclosed
WO-2012031061-A2 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 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 (5 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-20130129839-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 ALDH1A1 1167/4885HTT 3798/4885ALOX15 923/4885
US-20150305339-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 ALDH1A1 1167/4885HTT 3798/4885ALOX15 923/4885
US-10015966-B2 Fungicidal pyrazole mixtures CYP1B1, CBR3, CBR1 ALDH1A1 526/4885HTT 3725/4885ALOX15 581/4885
US-20170150719-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 ALDH1A1 1167/4885HTT 3798/4885ALOX15 923/4885
US-20180310562-A1 FUNGICIDAL PYRAZOLE MIXTURES CYP1B1, CBR3, CBR1 ALDH1A1 526/4885HTT 3725/4885ALOX15 581/4885

“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.