SCHEMBL3520893

SCHEMBL3520893

CSc1nc(Cl)c(C(=O)NCCCc2ccccc2)c(NCCc2ccccc2)n1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 3/20 0.68
▸ TAAR1 Q96RJ0 1/20 0.55
▸ TSHR P16473 1/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ HPGD P15428 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ CA1 P00915 2/20 0.45
▸ CA2 P00918 2/20 0.45
▸ CA7 P43166 2/20 0.45
▸ CA13 Q8N1Q1 2/20 0.45
▸ NPC1 O15118 4/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ FYN P06241 1/20 0.43
▸ SRC P12931 1/20 0.43
▸ POLB P06746 2/20 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
SCHEMBL3522291 0.93 PPARG (0.80) PPARGTAAR1TSHRSMN1; SMN2HPGD
SCHEMBL3522277 0.90 PPARG (0.61) PPARGTAAR1TSHRSMN1; SMN2HPGD
SCHEMBL3518457 0.88 PPARG (0.61) PPARGTAAR1TSHRSMN1; SMN2HPGD
SCHEMBL3522222 0.87 PPARG (0.60) PPARGTAAR1TSHRSMN1; SMN2HPGD
SCHEMBL3599075 0.75 PPARG (0.81) PPARGTAAR1TSHRSMN1; SMN2KDM4E
SCHEMBL4506700 0.75 TSHR (0.50) PPARGTAAR1TSHRSMN1; SMN2HPGD
SCHEMBL4515273 0.75 L3MBTL1 (0.53) PPARGTAAR1TSHRSMN1; SMN2HPGD
SCHEMBL4502645 0.75 TSHR (0.50) PPARGTAAR1TSHRSMN1; SMN2HPGD
SCHEMBL4508285 0.74 SMN1; SMN2 (0.52) PPARGTAAR1TSHRSMN1; SMN2HPGD
SCHEMBL4517405 0.74 SMN1; SMN2 (0.52) PPARGTAAR1TSHRSMN1; SMN2HPGD

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 PPARG 331/4885TAAR1 3563/4885TSHR 2549/4885

“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.

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