SCHEMBL3751766

SCHEMBL3751766

O=Cc1ccc(-c2cccc(C(F)(F)F)c2)nc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.56
CTSS P25774 1/20 0.48
KMO O15229 2/20 0.47
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 4/20 0.46
XDH P47989 1/20 0.45
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2C9 P11712 2/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
THRB P10828 1/20 0.44
PKM P14618 1/20 0.44
TSHR P16473 1/20 0.44
STAT6 P42226 1/20 0.44

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
SCHEMBL1549312 0.86 KDM1A (0.56) KDM1ACTSSKMOKDM4EALDH1A1
SCHEMBL3747368 0.82 CASP1 (0.43) KDM1AALDH1A1MAOB
SCHEMBL528042 0.82 ALDH1A1 (0.51) KDM1ACTSSKMOKDM4EALDH1A1
SCHEMBL528043 0.82 ALDH1A1 (0.51) KDM1ACTSSKMOKDM4EALDH1A1
SCHEMBL3745509 0.80 XDH (0.48) CTSSXDHCYP1A2CYP3A4CYP2C9
SCHEMBL12427721 0.80 KDM1A (0.45) KDM1ACTSSKMOKDM4EALDH1A1
SCHEMBL3745406 0.79 KDM1A (0.42) KDM1ACTSSKMOKDM4EXDH
SCHEMBL7444196 0.78 CTSS (0.46) KDM1ACTSSKMOKDM4EALDH1A1
SCHEMBL3747251 0.78 NOTUM (0.48) CTSSKMOCYP1A2
SCHEMBL28777910 0.77 KMO (0.59) KDM1ACTSSKMOKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-25 US disclosed
US-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-25 US disclosed
US-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-25 US disclosed
WO-2008031501-A2 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-20 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-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF NAPRT, PNPO, FABP3 KDM1A 1695/4885CTSS 4422/4885KMO 533/4885

“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.