SCHEMBL15401571

SCHEMBL15401571

Cc1nc(-c2ccc(CCNC(=O)c3ccccc3C(F)(F)F)cc2)cs1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.57
HIF1A Q16665 1/20 0.52
KDM4E B2RXH2 6/20 0.51
ALDH1A1 P00352 3/20 0.51
NPC1 O15118 8/20 0.49
RAB9A P51151 8/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
STAT1 P42224 2/20 0.49
MAPT P10636 5/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
PKM P14618 2/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ESRRG P62508 1/20 0.44
BLM P54132 1/20 0.44
ADRB3 P13945 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
SCHEMBL15400979 0.86 NPC1 (0.58) HIF1AKDM4EALDH1A1NPC1RAB9A
SCHEMBL15400503 0.86 NPC1 (0.66) TP53HIF1AKDM4EALDH1A1NPC1
SCHEMBL15400579 0.84 HIF1A (0.55) TP53HIF1AKDM4EALDH1A1NPC1
SCHEMBL15400996 0.84 NPC1 (0.67) TP53HIF1AKDM4EALDH1A1NPC1
SCHEMBL15401641 0.84 SMN1; SMN2 (0.60) TP53HIF1AKDM4EALDH1A1NPC1
SCHEMBL1243101 0.83 MAPT (0.65) TP53HIF1AKDM4EALDH1A1NPC1
SCHEMBL16771871 0.82 TP53 (0.62) TP53HIF1AKDM4EALDH1A1SMN1; SMN2
SCHEMBL16771933 0.80 ALDH1A1 (0.60) TP53HIF1AKDM4EALDH1A1NPC1
SCHEMBL16771912 0.79 TP53 (0.52) TP53KDM4EALDH1A1NPC1RAB9A
SCHEMBL16771942 0.78 PSEN1 (0.60) TP53ALDH1A1SMN1; SMN2ESRRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104603128-B Antifungal heterocycle carbonyl acid amides 杜邦公司 2017-09-08 CN claimed
EP-2867228-B1 FUNGICIDAL HETEROCYCLIC CARBOXAMIDES DU PONT (US) 2017-07-26 EP claimed
EP-2867228-A1 FUNGICIDAL HETEROCYCLIC CARBOXAMIDES E. I. Du Pont de Nemours and Company (US) 2015-05-06 EP claimed
CN-104603128-A Fungicidal heterocyclic carboxamides DU PONT 2015-05-06 CN claimed
US-8815772-B2 Fungicidal heterocyclic carboxamides E I DU PONT DE NEMOURS AND COMPANY (US) 2014-08-26 US claimed
WO-2014004064-A1 FUNGICIDAL HETEROCYCLIC CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2014-01-03 WO claimed
US-20140005231-A1 FUNGICIDAL HETEROCYCLIC CARBOXAMIDES FMC CORPORATION 2014-01-02 US claimed
CN-104603128-B Antifungal heterocycle carbonyl acid amides 杜邦公司 2017-09-08 CN disclosed
EP-2867228-B1 FUNGICIDAL HETEROCYCLIC CARBOXAMIDES DU PONT (US) 2017-07-26 EP disclosed
EP-2867228-A1 FUNGICIDAL HETEROCYCLIC CARBOXAMIDES E. I. Du Pont de Nemours and Company (US) 2015-05-06 EP disclosed
CN-104603128-A Fungicidal heterocyclic carboxamides DU PONT 2015-05-06 CN disclosed
US-8815772-B2 Fungicidal heterocyclic carboxamides E I DU PONT DE NEMOURS AND COMPANY (US) 2014-08-26 US disclosed
WO-2014004064-A1 FUNGICIDAL HETEROCYCLIC CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2014-01-03 WO disclosed
US-20140005231-A1 FUNGICIDAL HETEROCYCLIC CARBOXAMIDES FMC CORPORATION 2014-01-02 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-20140005231-A1 FUNGICIDAL HETEROCYCLIC CARBOXAMIDES CBR3, CBR1, NOX3 TP53 4624/4885HIF1A 3419/4885KDM4E 991/4885

“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.