SCHEMBL3750086

SCHEMBL3750086

O=Cc1ccc(-c2ccc(C(F)(F)F)cc2)nc1Oc1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
HPGD P15428 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 2/20 0.36
ADRB2 P07550 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BLM P54132 1/20 0.35
SCN9A Q15858 5/20 0.34
MAPT P10636 1/20 0.34
PDE2A O00408 1/20 0.34
PDE10A Q9Y233 1/20 0.34
ACP1 P24666 1/20 0.34

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
SCHEMBL3745406 0.88 KDM1A (0.42) KMT2AHPGDCYP1A2CYP3A4CYP2C19
SCHEMBL8218294 0.86 LMNA (0.46) KMT2AHPGDCYP1A2CYP2C19LMNA
SCHEMBL3753774 0.85 RORB (0.40) KMT2ACYP1A2BLM
SCHEMBL3752842 0.81 ALDH1A1 (0.40) KMT2AHPGDLMNAADRB2SMN1; SMN2
SCHEMBL3751995 0.81 SCN9A (0.44) KMT2AHPGDCYP2C19SMN1; SMN2SCN9A
SCHEMBL12427716 0.80 F2RL3 (0.40) KMT2AHPGDSMN1; SMN2ACP1
SCHEMBL3747547 0.80 MEN1 (0.40) KMT2AHPGDCYP1A2CYP2C19LMNA
SCHEMBL3752590 0.80 KMO (0.38) KMT2AHPGDLMNAADRB2SMN1; SMN2
SCHEMBL3753486 0.79 XDH (0.41) HPGDCYP1A2CYP3A4CYP2C19SCN9A
SCHEMBL3752506 0.79 L3MBTL1 (0.46) KMT2AHPGDCYP1A2CYP2C19LMNA

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 KMT2A 1678/4885HPGD 347/4885CYP1A2 572/4885

“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.