SCHEMBL3755086

SCHEMBL3755086

O=C(O)c1ccc(-c2ccc(F)cc2)nc1Oc1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 1/20 0.46
CASP3 P42574 1/20 0.46
RAB9A P51151 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
ALDH1A1 P00352 4/20 0.46
DHODH Q02127 3/20 0.44
HPGD P15428 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
SCN9A Q15858 2/20 0.42
HSD17B10 Q99714 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
LMNA P02545 1/20 0.40
ADRB2 P07550 1/20 0.40

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
SCHEMBL3752621 0.92 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1HPGDKDM4EMEN1
SCHEMBL3752101 0.91 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AALDH1A1DHODH
SCHEMBL3751995 0.88 SCN9A (0.44) SMN1; SMN2ALDH1A1HPGDKDM4EMEN1
SCHEMBL3745600 0.86 KMO (0.47) ALDH1A1DHODHMAPTSCN9ANPSR1
SCHEMBL3759839 0.86 HPGDS (0.42) ALDH1A1DHODHHPGDKDM4EMEN1
SCHEMBL3762196 0.85 ALDH1A1 (0.41) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL13054024 0.84 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1MAPTNPSR1
SCHEMBL3747417 0.83 ALDH1A1 (0.46) SMN1; SMN2NPC1RAB9AALDH1A1DHODH
SCHEMBL3753481 0.83 RORB (0.46) RAB9A
SCHEMBL3762200 0.81 PTGER4 (0.40) SMN1; SMN2ALDH1A1DHODHHPGDMEN1

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 3 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

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 SMN1; SMN2 3345/4885NPC1 383/4885CASP3 2375/4885

“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.