SCHEMBL15401642

SCHEMBL15401642

Cc1cc(C)n(-c2ccc(CCNC(=O)c3c(C)nn(C)c3C)cc2)n1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
TP53 P04637 5/20 0.48
MAPT P10636 3/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 2/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL2859256 0.80 NPC1 (0.73) NPC1RAB9ATP53MAPTKMT2A
SCHEMBL5676692 0.71 MALT1 (0.60) NPC1RAB9ATP53SMN1; SMN2KDM4E
SCHEMBL6098089 0.70 MAPT (0.50) TP53MAPTKMT2AHPGDKDM4E
SCHEMBL6096249 0.68 MAPT (0.51) TP53MAPTSMN1; SMN2HPGDALDH1A1
SCHEMBL27582575 0.68 KLKB1 (0.57) TP53MAPTKMT2AHPGDALDH1A1
SCHEMBL2860256 0.68 CNR1 (0.58) NPC1RAB9AMAPTKMT2ASMN1; SMN2
SCHEMBL6098368 0.67 MAPT (0.50) MAPTHPGDALDH1A1
SCHEMBL2859054 0.67 POLB (0.71) NPC1RAB9AMAPTKMT2ASMN1; SMN2
SCHEMBL13753976 0.67 KDM4E (0.69) NPC1RAB9AMAPTKMT2ASMN1; SMN2
SCHEMBL5717760 0.67 MAPT (0.52) NPC1RAB9ATP53MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2867228-B1 FUNGICIDAL HETEROCYCLIC CARBOXAMIDES DU PONT (US) 2017-07-26 EP claimed
US-8815772-B2 Fungicidal heterocyclic carboxamides E I DU PONT DE NEMOURS AND COMPANY (US) 2014-08-26 US claimed
US-20140005231-A1 FUNGICIDAL HETEROCYCLIC CARBOXAMIDES FMC CORPORATION 2014-01-02 US claimed
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
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 NPC1 1461/4885RAB9A 289/4885TP53 4624/4885

“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.