SCHEMBL3745558

SCHEMBL3745558

O=Cc1ccc(-c2ccc(Cl)nc2)nc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.43
PIK3CD O00329 1/20 0.41
NPC1 O15118 3/20 0.40
ALDH1A1 P00352 3/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 2/20 0.39
CYP2A6 P11509 1/20 0.39
KCNH2 Q12809 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TRPV3 Q8NET8 1/20 0.36
NOTUM Q6P988 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 1/20 0.34
MPI P34949 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL3745560 0.82 ALDH1A1 (0.43) ERN1PIK3CDALDH1A1KDM4EMEN1
SCHEMBL844587 0.76 ALDH1A1 (0.47) ERN1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL30492852 0.76 ALDH1A1 (0.47) ERN1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL3747368 0.74 CASP1 (0.43) ALDH1A1TRPV3
SCHEMBL3752842 0.74 ALDH1A1 (0.40) ERN1NPC1ALDH1A1RAB9AKDM4E
SCHEMBL1743192 0.71 NPC1 (0.54) NPC1ALDH1A1RAB9AKDM4ECYP2A6
SCHEMBL3752970 0.71 KMO (0.46) ERN1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL3752115 0.71 CYP1A2 (0.44) NPC1ALDH1A1RAB9AKDM4EMEN1
SCHEMBL3747251 0.70 NOTUM (0.48) NOTUMCYP1A2CASP3
SCHEMBL12675582 0.69 GAA (0.49) NPC1ALDH1A1RAB9AKDM4EMEN1

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 6 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
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 ERN1 4268/4885PIK3CD 2254/4885NPC1 383/4885

“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.