SCHEMBL3752842

SCHEMBL3752842

O=Cc1ccc(-c2ccc(Cl)nc2)nc1Oc1ccccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
HTT P42858 3/20 0.40
LMNA P02545 2/20 0.39
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MAP4K4 O95819 1/20 0.35
ERN1 O75460 2/20 0.34
ADRB2 P07550 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
PDE10A Q9Y233 1/20 0.33
GAA P10253 1/20 0.33
CYP2A6 P11509 1/20 0.33

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
SCHEMBL8218294 0.86 LMNA (0.46) ALDH1A1HTTLMNAKMT2AKDM4E
SCHEMBL3752847 0.86 ALDH1A1 (0.39) ALDH1A1HTTLMNAMAP4K4ERN1
SCHEMBL3750086 0.81 KMT2A (0.44) LMNAKMT2AADRB2SMN1; SMN2MAPT
SCHEMBL3752506 0.81 L3MBTL1 (0.46) ALDH1A1HTTLMNAKMT2AMAP4K4
SCHEMBL3762196 0.80 ALDH1A1 (0.41) ALDH1A1HTTLMNAKMT2AMEN1
SCHEMBL3752590 0.79 KMO (0.38) ALDH1A1HTTLMNAKMT2AMEN1
SCHEMBL3747547 0.79 MEN1 (0.40) ALDH1A1HTTLMNAKMT2AMEN1
SCHEMBL3753774 0.78 RORB (0.40) KMT2A
SCHEMBL3745406 0.76 KDM1A (0.42) LMNAKMT2AKDM4EMAPTHPGD
SCHEMBL3751988 0.75 ALDH1A1 (0.37) ALDH1A1HTTLMNAKDM4EERN1

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 5 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
EP-2066635-A2 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2009-06-10 EP 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 ALDH1A1 1855/4885HTT 411/4885LMNA 571/4885

“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.