SCHEMBL6833959

SCHEMBL6833959

Cn1c(C(=O)Nc2ccc(C#N)cc2C(=O)O)cc2cccc(NC(=O)N3CCOCC3)c21

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALB P02768 7/20 0.49
ABCC1 P33527 1/20 0.45
TSHR P16473 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
HCAR2 Q8TDS4 1/20 0.39
RAB9A P51151 2/20 0.39
TERT O14746 1/20 0.37
NPC1 O15118 1/20 0.36
RORC P51449 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ADORA2A P29274 1/20 0.36

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
SCHEMBL6835834 0.84 ALB (0.64) ALBALDH1A1MEN1POLBKMT2A
SCHEMBL6833800 0.83 ALB (0.49) ALBABCC1KDM4EALDH1A1HSD17B10
SCHEMBL6833427 0.83 ALB (0.50) ALBMEN1KMT2ARAB9ANPC1
SCHEMBL6713278 0.82 HSD17B10 (0.38) ALBTSHRKDM4EALDH1A1HSD17B10
SCHEMBL6707964 0.81 HSD17B10 (0.37) TSHRKDM4EALDH1A1HSD17B10MEN1
SCHEMBL6833763 0.81 ALB (0.39) ALBMEN1KMT2A
SCHEMBL3253062 0.81 KDM4E (0.57) ABCC1TSHRKDM4EALDH1A1HSD17B10
SCHEMBL6833985 0.81 ALB (0.42) ALBALDH1A1MEN1KMT2A
SCHEMBL6834424 0.81 ALB (0.43) ALBTSHRMEN1KMT2A
SCHEMBL6830635 0.80 ALB (0.41) ALBTSHRMEN1KMT2ACYP2C9

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 claimed

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 2452/4885TSHR 3622/4885

“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.