SCHEMBL13053992

SCHEMBL13053992

CC(C)(C)OC(=O)c1ccc(-c2cc(F)cc(F)c2)nc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
AAK1 Q2M2I8 3/20 0.38
MAPT P10636 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34

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
SCHEMBL3750480 0.85 KMO (0.48) NPC1RAB9ASMN1; SMN2CASP3SENP8
SCHEMBL29862091 0.85 AAK1 (0.41) AAK1FPR2SCN9ALDHA
SCHEMBL17647428 0.85 AAK1 (0.41) AAK1FPR2SCN9ALDHA
SCHEMBL3753490 0.79 KEAP1 (0.53) RAB9ASMN1; SMN2KEAP1NFE2L2LDHA
SCHEMBL13053995 0.76 ALDH1A1 (0.44) AAK1MAPTL3MBTL1
SCHEMBL8216522 0.76 KDM4E (0.36) SMN1; SMN2AAK1MAPTL3MBTL1SCN9A
SCHEMBL13053994 0.76 AAK1 (0.33) NPC1RAB9ASMN1; SMN2CASP3SENP8
SCHEMBL3540349 0.76 KEAP1 (0.57) AAK1NFKB1NFKB2RELAKEAP1
SCHEMBL1543357 0.76 LDHA (0.52) NPC1RAB9ASMN1; SMN2GABRA1GABRG2
SCHEMBL1971986 0.75 ATR (0.43) NPC1RAB9AATRCNR1CNR2

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

“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.