SCHEMBL3520114

SCHEMBL3520114

Cn1ncc(C(=O)NCCCc2ccccc2)c1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.58
HPGD P15428 3/20 0.58
NPC1 O15118 8/20 0.57
RAB9A P51151 7/20 0.57
POLB P06746 3/20 0.56
HTT P42858 2/20 0.56
ALDH1A1 P00352 1/20 0.56
MAPT P10636 1/20 0.56
TSHR P16473 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
HSD17B10 Q99714 1/20 0.56
NLRP1 Q9C000 1/20 0.56
NR3C1 P04150 1/20 0.53
MEN1 O00255 1/20 0.53
USP2 O75604 1/20 0.53
GAA P10253 1/20 0.53
KMT2A Q03164 1/20 0.53
EPHX2 P34913 1/20 0.51
KDM4E B2RXH2 1/20 0.50
NLRP3 Q96P20 1/20 0.50

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
SCHEMBL2852998 0.92 NPC1 (0.59) SMN1; SMN2HPGDNPC1RAB9AALDH1A1
SCHEMBL4456501 0.78 HIF1A (0.53) SMN1; SMN2HPGDNPC1RAB9AALDH1A1
SCHEMBL4456375 0.72 P2RX7 (0.55) HPGDPOLBALDH1A1MEN1KMT2A
SCHEMBL3225126 0.71 NPC1 (1.00) SMN1; SMN2HPGDNPC1RAB9APOLB
SCHEMBL2855548 0.71 CCR1 (0.68) HPGDMEN1GAAKMT2A
SCHEMBL8636926 0.71 NPC1 (0.70) SMN1; SMN2HPGDNPC1RAB9APOLB
SCHEMBL10367016 0.70 NPC1 (0.54) SMN1; SMN2HPGDNPC1RAB9APOLB
SCHEMBL937958 0.69 NPC1 (0.57) SMN1; SMN2HPGDNPC1RAB9APOLB
SCHEMBL11192370 0.69 MAPK14 (0.59) SMN1; SMN2HPGDPOLBALDH1A1TSHR
SCHEMBL6275666 0.69 HPGD (0.59) HPGDPOLBALDH1A1TSHRNR3C1

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 SMN1; SMN2 2779/4885HPGD 2749/4885NPC1 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.