SCHEMBL3519296

SCHEMBL3519296

COc1cc(Cl)sc1C(=O)NCCCc1ccc(C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
NR1H4 Q96RI1 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
NAMPT P43490 1/20 0.43
ESRRG P62508 1/20 0.43
XDH P47989 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
MAPK1 P28482 1/20 0.42
RECQL P46063 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL3516585 0.91 GAA (0.46) GAANPC1RAB9ALMNAMAPT
Meglitinide SCHEMBL29829482 0.71 DNMT3A (0.78) GAA
Meglitinide SCHEMBL37926 0.71 DNMT3A (0.78) GAA
SCHEMBL16562164 0.71 RAB9A (0.67) GAANPC1RAB9ALMNAMAPT
SCHEMBL8307439 0.70 DAO (0.42) RAB9ALMNAMAPK1
SCHEMBL27883373 0.70 USP2 (0.70) GAANR1H4NPC1RAB9ASMN1; SMN2
SCHEMBL4304151 0.69 PTGER4 (0.66) GAANPC1RAB9AMAPTSMN1; SMN2
SCHEMBL8548802 0.68 NPC1 (0.72) NPC1RAB9ALMNAMAPTSMN1; SMN2
SCHEMBL28489579 0.68 NPC1 (0.72) NPC1RAB9ALMNASMN1; SMN2MTNR1B
SCHEMBL17916743 0.68 RAB9A (0.69) GAANPC1RAB9ALMNAMAPT

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
US-8283349-B2 Fungicide N-(3-phenylpropyl) carboxamide derivatives BAYER CROPSCIENCE AG (DE) 2012-10-09 US claimed
US-20100087494-A1 FUNGICIDE N-(3-PHENYLPROPYL) CARBOXAMIDE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2010-04-08 US claimed
EP-2125740-A1 FUNGICIDE N-(3-PHENYLPROPYL)CARBOXAMIDE DERIVATIVES Bayer CropScience SA (FR) 2009-12-02 EP claimed
WO-2008101976-A1 FUNGICIDE N-(3-PHENYLPROPYL)CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2008-08-28 WO claimed
US-8283349-B2 Fungicide N-(3-phenylpropyl) carboxamide derivatives BAYER CROPSCIENCE AG (DE) 2012-10-09 US disclosed
US-20100087494-A1 FUNGICIDE N-(3-PHENYLPROPYL) CARBOXAMIDE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2010-04-08 US disclosed
EP-2125740-A1 FUNGICIDE N-(3-PHENYLPROPYL)CARBOXAMIDE DERIVATIVES Bayer CropScience SA (FR) 2009-12-02 EP disclosed
WO-2008101976-A1 FUNGICIDE N-(3-PHENYLPROPYL)CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2008-08-28 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 (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-20100087494-A1 FUNGICIDE N-(3-PHENYLPROPYL) CARBOXAMIDE DERIVATIVES CYP51A1, CYP1A2, CYP3A7 GAA 55/4885NR1H4 2418/4885NPC1 809/4885

“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.