SCHEMBL3750668

SCHEMBL3750668

COC(=O)c1ccc(-c2ccc(C)c(F)c2)nc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
MAPT P10636 2/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
KMO O15229 4/20 0.48
SLC6A3 Q01959 4/20 0.45
SLC6A4 P31645 3/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
PLA2G2A P14555 2/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL31547621 0.88 MAPT (0.57) SMN1; SMN2NPC1RAB9AMAPTNFKB1
SCHEMBL3750480 0.86 KMO (0.48) SMN1; SMN2NPC1RAB9AMAPTNFKB1
SCHEMBL3758452 0.85 KMO (0.58) SMN1; SMN2RAB9AKMORXFP1KEAP1
SCHEMBL3752977 0.83 SLC6A3 (0.46) SMN1; SMN2NPC1RAB9AMAPTNFKB1
SCHEMBL3342506 0.79 KMO (0.48) SMN1; SMN2NPC1RAB9AMAPTNFKB1
SCHEMBL3747338 0.79 SMN1; SMN2 (0.42) SMN1; SMN2NPC1RAB9AMAPTNFKB1
SCHEMBL3747199 0.79 SMN1; SMN2 (0.42) SMN1; SMN2NPC1RAB9AMAPTNFKB1
SCHEMBL830911 0.78 ALDH1A1 (0.47) SMN1; SMN2NPC1RAB9AMAPTNFKB1
SCHEMBL15296662 0.77 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9AMAPTNFKB1
SCHEMBL20727041 0.77 SLC6A3 (0.43) SMN1; SMN2NPC1RAB9AMAPTNFKB1

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 4 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
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 SMN1; SMN2 3345/4885NPC1 383/4885RAB9A 4505/4885

“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.