SCHEMBL4456501

SCHEMBL4456501

Cn1ncc(C(=O)NCCc2ccccc2F)c1Cl

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 7/20 0.53
NPC1 O15118 4/20 0.52
RAB9A P51151 3/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
CNR1 P21554 1/20 0.48
LMNA P02545 2/20 0.46
HPGD P15428 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
TAAR1 Q96RJ0 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PAX8 Q06710 1/20 0.44
KLF5 Q13887 1/20 0.44
IL1B P01584 1/20 0.43
P2RX7 Q99572 1/20 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
SCHEMBL2852998 0.82 NPC1 (0.59) HIF1ANPC1RAB9AKMT2ACNR1
SCHEMBL4456375 0.78 P2RX7 (0.55) MEN1KMT2ACNR1LMNAHPGD
SCHEMBL3520114 0.78 SMN1; SMN2 (0.58) NPC1RAB9AMEN1KMT2AHPGD
SCHEMBL31683861 0.74 NPC1 (0.53) HIF1ANPC1RAB9AMEN1KMT2A
SCHEMBL28635599 0.74 NPC1 (0.53) HIF1ANPC1RAB9AMEN1KMT2A
SCHEMBL28588186 0.72 P2RX7 (0.53) HIF1ANPC1RAB9AMEN1KMT2A
SCHEMBL937246 0.71 HIF1A (0.62) HIF1ANPC1RAB9AMEN1KMT2A
SCHEMBL1010476 0.71 MTNR1A (0.61) HIF1ANPC1RAB9AMEN1KMT2A
SCHEMBL2857899 0.71 KLKB1 (0.56) HIF1ARAB9ALMNAHPGDTRPV1
SCHEMBL1412850 0.70 P2RX7 (0.84) HIF1AP2RX7

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1954674-B1 NEW N-PHENETHYLCARBOXAMIDE DERIVATIVES BAYER IP GMBH (DE) 2016-03-16 EP claimed
US-20090170924-A1 N-Phenethylcarboxamide Derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-07-02 US claimed
EP-1954674-A1 NEW N-PHENETHYLCARBOXAMIDE DERIVATIVES Bayer CropScience S.A. (FR) 2008-08-13 EP claimed
WO-2007060166-A1 NEW N-PHENETHYLCARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2007-05-31 WO claimed
EP-1787981-A1 New N-phenethylcarboxamide derivatives Bayer CropScience S.A. (FR) 2007-05-23 EP claimed
US-9440946-B2 N-phenethylcarboxamide derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-09-13 US disclosed
EP-1954674-B1 NEW N-PHENETHYLCARBOXAMIDE DERIVATIVES BAYER IP GMBH (DE) 2016-03-16 EP disclosed
US-20090170924-A1 N-Phenethylcarboxamide Derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-07-02 US disclosed
EP-1954674-A1 NEW N-PHENETHYLCARBOXAMIDE DERIVATIVES Bayer CropScience S.A. (FR) 2008-08-13 EP disclosed
WO-2007060166-A1 NEW N-PHENETHYLCARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2007-05-31 WO disclosed
EP-1787981-A1 New N-phenethylcarboxamide derivatives Bayer CropScience S.A. (FR) 2007-05-23 EP 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-20090170924-A1 N-Phenethylcarboxamide Derivatives GANC, KCNH1, GANAB HIF1A 1612/4885NPC1 185/4885RAB9A 1773/4885

“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.