SCHEMBL3752977

SCHEMBL3752977

COC(=O)c1cc(F)c(-c2ccc(C)c(F)c2)nc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.46
MAPT P10636 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
CTSA P10619 4/20 0.41
KMO O15229 2/20 0.40
CHRNA7 P36544 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
CNR1 P21554 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL25149142 0.84 KDM4E (0.48) SLC6A3MAPTSMN1; SMN2L3MBTL1KEAP1
SCHEMBL30364712 0.84 KDM4E (0.48) SLC6A3MAPTSMN1; SMN2L3MBTL1KEAP1
SCHEMBL3750668 0.83 SMN1; SMN2 (0.53) SLC6A3MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL16075378 0.78 SLC6A3 (0.43) SLC6A3MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL20727063 0.78 SLC6A3 (0.43) SLC6A3MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL114292 0.77 KEAP1 (0.46) MAPTNPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL16127187 0.77 SLC6A3 (0.42) SLC6A3MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL31459616 0.77 KEAP1 (0.62) SLC6A3MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL113592 0.77 KEAP1 (0.62) SLC6A3MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL393670 0.76 KEAP1 (0.45) MAPTNPC1RAB9ASMN1; SMN2NFKB1

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 SLC6A3 552/4885MAPT 2113/4885NPC1 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.