SCHEMBL3762200

SCHEMBL3762200

O=C(O)c1cc(-c2ccc(C(=O)O)c(Oc3ccccc3Cl)n2)cnc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PIN1 Q13526 1/20 0.38
KDM5A P29375 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
TRPM4 Q8TD43 1/20 0.38
IDO1 P14902 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 2/20 0.37
ADRB2 P07550 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MCL1 Q07820 2/20 0.37
DHODH Q02127 1/20 0.37

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
SCHEMBL3762196 0.86 ALDH1A1 (0.41) PTGER4ALDH1A1TDP1TP53HTT
SCHEMBL3752621 0.85 ALDH1A1 (0.54) ALDH1A1TDP1TP53HTTMAPT
SCHEMBL3752101 0.82 SMN1; SMN2 (0.47) ALDH1A1TDP1TP53HTTMAPT
SCHEMBL3755086 0.81 SMN1; SMN2 (0.46) ALDH1A1MAPTNPSR1MEN1KMT2A
SCHEMBL13054024 0.81 ALDH1A1 (0.43) PTGER4ALDH1A1TP53HTTMAPT
SCHEMBL3747417 0.79 ALDH1A1 (0.46) PTGER4ALDH1A1TP53HTTMAPT
SCHEMBL3759839 0.78 HPGDS (0.42) PTGER4ALDH1A1MAPTNPSR1MEN1
SCHEMBL3745600 0.78 KMO (0.47) PTGER4ALDH1A1MAPTNPSR1IDO1
SCHEMBL3751995 0.77 SCN9A (0.44) ALDH1A1TDP1TP53MAPTNPSR1
SCHEMBL3759594 0.77 RORB (0.48) ALDH1A1MAPTNPSR1PIN1MEN1

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 1 patent. 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

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 PTGER4 1463/4885ALDH1A1 1855/4885TDP1 2056/4885

“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.