SCHEMBL6833800

SCHEMBL6833800

Cn1c(C(=O)Nc2ccc(C#N)cc2C(=O)O)cc2ccc(NC(=O)N3CCOCC3)cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.49
ABCC1 P33527 1/20 0.42
RORC P51449 2/20 0.42
ROCK2 O75116 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PPARG P37231 2/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NPY5R Q15761 1/20 0.37
ALOX15 P16050 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
SCHEMBL6818253 0.85 ROCK2 (0.42) ALBROCK2KDM4ESMN1; SMN2MAPT
SCHEMBL6833959 0.83 ALB (0.49) ALBABCC1RORCKDM4EALDH1A1
SCHEMBL6814610 0.83 ROCK2 (0.41) ALBROCK2ALDH1A1MEN1KMT2A
SCHEMBL6817988 0.81 NAMPT (0.43) ALBRORCROCK2KDM4EALDH1A1
SCHEMBL6835744 0.81 ALB (0.43) ALBROCK2ALDH1A1
SCHEMBL6822318 0.80 MAPT (0.48) ROCK2KDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL6833234 0.80 KDM4C (0.43) ALBRORCROCK2ALDH1A1SMN1; SMN2
SCHEMBL6932562 0.80 ROCK2 (0.41) ALBROCK2ALDH1A1MEN1KMT2A
SCHEMBL6835753 0.79 ROCK2 (0.40) ALBRORCROCK2ALDH1A1SMN1; SMN2
SCHEMBL6833692 0.79 IMPDH2 (0.49) ALBROCK2KDM4ESMN1; SMN2MEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALB 1417/4885ABCC1 2452/4885RORC 1115/4885

“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.