SCHEMBL15401641

SCHEMBL15401641

Cc1nc(-c2ccc(CCNC(=O)c3ccccc3Cl)cc2)cs1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.60
LMNA P02545 3/20 0.60
MAPT P10636 3/20 0.60
MAPK1 P28482 1/20 0.60
NPC1 O15118 5/20 0.58
RAB9A P51151 5/20 0.58
HIF1A Q16665 1/20 0.55
ALDH1A1 P00352 5/20 0.54
KDM4E B2RXH2 3/20 0.54
TP53 P04637 2/20 0.53
STAT1 P42224 2/20 0.52
SMO Q99835 2/20 0.52
HPGD P15428 2/20 0.52
MEN1 O00255 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52
KMT2A Q03164 1/20 0.52
P2RX7 Q99572 1/20 0.50
ADRB3 P13945 1/20 0.49
BDKRB1 P46663 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
SCHEMBL15400503 0.89 NPC1 (0.66) SMN1; SMN2LMNAMAPTMAPK1NPC1
SCHEMBL15400579 0.87 HIF1A (0.55) SMN1; SMN2LMNAMAPTMAPK1NPC1
SCHEMBL15400996 0.87 NPC1 (0.67) SMN1; SMN2LMNAMAPTMAPK1NPC1
SCHEMBL15400979 0.87 NPC1 (0.58) SMN1; SMN2LMNAMAPTNPC1RAB9A
SCHEMBL15401571 0.84 TP53 (0.57) SMN1; SMN2LMNAMAPTNPC1RAB9A
SCHEMBL14553224 0.81 NPC1 (0.78) SMN1; SMN2MAPTMAPK1NPC1RAB9A
SCHEMBL15400568 0.80 ALDH1A1 (0.54) SMN1; SMN2LMNAMAPTMAPK1NPC1
SCHEMBL15401188 0.77 NPC1 (0.50) SMN1; SMN2LMNAMAPTNPC1RAB9A
SCHEMBL6356707 0.75 NPC1 (1.00) SMN1; SMN2LMNAMAPTNPC1RAB9A
SCHEMBL28011538 0.73 RAB9A (0.50) SMN1; SMN2MAPTNPC1RAB9AALDH1A1

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 10 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
EP-2867228-A1 FUNGICIDAL HETEROCYCLIC CARBOXAMIDES E. I. Du Pont de Nemours and Company (US) 2015-05-06 EP 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
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 SMN1; SMN2 2031/4885LMNA 1253/4885MAPT 4762/4885

“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.