SCHEMBL6835781

SCHEMBL6835781

Cn1c(C(=O)Nc2ccc(Br)cc2C(=O)O)cc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.55
AKR1C4 P17516 1/20 0.54
AKR1C3 P42330 1/20 0.54
AKR1C2 P52895 1/20 0.54
AKR1C1 Q04828 1/20 0.54
GRM4 Q14833 1/20 0.50
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
TP53 P04637 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
PHGDH O43175 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
DHODH Q02127 1/20 0.47

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
SCHEMBL6833093 0.87 MCL1 (0.56) MCL1GRM4LMNAMAPTTP53
SCHEMBL6830542 0.86 GRM4 (0.55) MCL1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL6834152 0.85 ALDH1A1 (0.49) AKR1C4AKR1C3AKR1C2AKR1C1MAPT
SCHEMBL6833315 0.85 AKR1C2 (0.51) AKR1C4AKR1C3AKR1C2AKR1C1MAPT
SCHEMBL6834157 0.84 POLB (0.53) AKR1C4AKR1C3AKR1C2AKR1C1MEN1
SCHEMBL6830750 0.84 HDAC3 (0.49) AKR1C4AKR1C3AKR1C2AKR1C1MAPT
SCHEMBL6833056 0.83 CNR2 (0.52) AKR1C4AKR1C3AKR1C2AKR1C1MEN1
SCHEMBL418660 0.83 MCL1 (0.57) MCL1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL6818878 0.83 ALB (0.56) MCL1GRM4LMNAMAPTTP53
SCHEMBL6830678 0.82 AKR1C2 (0.48) AKR1C4AKR1C3AKR1C2AKR1C1MAPT

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 MCL1 2086/4885AKR1C4 2813/4885AKR1C3 2981/4885

“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.