SCHEMBL3522222

SCHEMBL3522222

CSc1nc(Cl)c(C(=O)NCCCc2ccccc2)c(NCC(C)c2ccccc2)n1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 3/20 0.60
▸ TAAR1 Q96RJ0 1/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ EPHX2 P34913 2/20 0.42
▸ TSHR P16473 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CNR1 P21554 2/20 0.41
▸ CNR2 P34972 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KDM4A O75164 1/20 0.40

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
SCHEMBL3520893 0.87 PPARG (0.68) PPARGTAAR1NPC1RAB9ASMN1; SMN2
SCHEMBL3522291 0.86 PPARG (0.80) PPARGTAAR1NPC1RAB9ASMN1; SMN2
SCHEMBL3522277 0.84 PPARG (0.61) PPARGTAAR1NPC1RAB9ASMN1; SMN2
SCHEMBL3518457 0.82 PPARG (0.61) PPARGTAAR1NPC1RAB9ASMN1; SMN2
SCHEMBL4504024 0.72 NPC1 (0.56) TAAR1NPC1RAB9ASMN1; SMN2EPHX2
SCHEMBL3599075 0.70 PPARG (0.81) PPARGTAAR1NPC1SMN1; SMN2TSHR
SCHEMBL4515273 0.70 L3MBTL1 (0.53) PPARGTAAR1NPC1RAB9ASMN1; SMN2
SCHEMBL4502645 0.70 TSHR (0.50) PPARGTAAR1NPC1RAB9ASMN1; SMN2
SCHEMBL4506700 0.70 TSHR (0.50) PPARGTAAR1NPC1RAB9ASMN1; SMN2
SCHEMBL4515901 0.70 L3MBTL1 (0.45) PPARGTAAR1NPC1RAB9ASMN1; 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
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 3563/4885NPC1 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.

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