SCHEMBL6833113

SCHEMBL6833113

CCOc1ccc(CC(=O)Nc2cccc3cc(C(=O)Nc4ccc(C#N)cc4C(=O)O)[nH]c23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
NLRP3 Q96P20 1/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
PKM P14618 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
POLB P06746 3/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.40
ROCK2 O75116 1/20 0.39
ALB P02768 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
SCHEMBL6834350 0.93 ALDH1A1 (0.50) SMN1; SMN2KMT2AMEN1NLRP3ALDH1A1
SCHEMBL6834072 0.90 ALDH1A1 (0.41) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL6834504 0.90 LMNA (0.47) SMN1; SMN2KMT2AMEN1ALDH1A1KDM4E
SCHEMBL7196017 0.89 SMN1; SMN2 (0.39) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL6833683 0.89 NR1H4 (0.48) NLRP3ALDH1A1
SCHEMBL6835671 0.88 LMNA (0.39) PKMRXFP1POLBLMNATP53
SCHEMBL6834298 0.88 MEN1 (0.44) NPC1RAB9AKMT2AMEN1NLRP3
SCHEMBL6833766 0.88 PARP14 (0.43) KMT2AMEN1ALDH1A1KDM4EPKM
SCHEMBL6834079 0.88 NHERF1 (0.44) KMT2AMEN1ALDH1A1KDM4EAKR1C2
SCHEMBL6834134 0.88 IDO1 (0.43) NLRP3ALDH1A1KDM4EPKMLMNA

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-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US claimed
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 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-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 SMN1; SMN2 2022/4885NPC1 3778/4885RAB9A 4337/4885

“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.