SCHEMBL3757644

SCHEMBL3757644

O=C(O)c1c(-c2ccccn2)ccnc1Oc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 4/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
KDM4E B2RXH2 2/20 0.44
KDM6B O15054 1/20 0.44
KDM4A O75164 1/20 0.44
KDM5C P41229 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
KDM2A Q9Y2K7 1/20 0.44
KDM3A Q9Y4C1 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPK8 P45983 2/20 0.41

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
SCHEMBL29008338 0.77 KDM4E (0.50) ALDH1A1POLBMAPTKDM4EKDM6B
SCHEMBL28368341 0.76 ALDH1A1 (0.50) TDP1ALDH1A1MAPTL3MBTL1KMT2A
SCHEMBL3341391 0.74 KDM4E (0.44) TDP1ALDH1A1POLBMAPTKDM4E
SCHEMBL3757640 0.71 MEN1 (0.51) TDP1ALDH1A1POLBMAPTKDM4E
SCHEMBL29096161 0.71 TDP1 (0.46) TDP1ALDH1A1POLBMAPTKDM4E
SCHEMBL28459406 0.71 GRM5 (0.49) TDP1ALDH1A1POLBMAPTKDM4E
SCHEMBL27535025 0.71 KDM4E (0.46) POLBKDM4EKDM6BKDM4AKDM5C
SCHEMBL861902 0.70 TDP1 (0.71) TDP1ALDH1A1POLBMAPTKDM4E
Diphenylether SCHEMBL28242094 0.70 KDM4E (0.67) TDP1ALDH1A1POLBMAPTKDM4E
SCHEMBL16267862 0.70 SQOR (0.40) TDP1ALDH1A1POLBMAPTKDM4E

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 2 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

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 TDP1 2056/4885ALDH1A1 1855/4885POLB 2202/4885

“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.