SCHEMBL6833093

SCHEMBL6833093

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.56
GRM4 Q14833 1/20 0.51
LMNA P02545 3/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
PTPRC P08575 1/20 0.50
PTPN2 P17706 1/20 0.50
PTPN1 P18031 1/20 0.50
PTPRA P18433 1/20 0.50
PTPRB P23467 1/20 0.50
PTPRE P23469 1/20 0.50
PTPN6 P29350 1/20 0.50
PHGDH O43175 1/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
ROCK1 Q13464 2/20 0.47
CA12 O43570 1/20 0.46
CA7 P43166 1/20 0.46

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
SCHEMBL6830542 0.87 GRM4 (0.55) MCL1GRM4LMNATP53MAPT
SCHEMBL6835781 0.87 MCL1 (0.55) MCL1GRM4LMNATP53MAPT
SCHEMBL6818878 0.84 ALB (0.56) MCL1GRM4LMNATP53MAPT
SCHEMBL6833914 0.83 PTPRC (0.48) PTPRCPTPN2PTPN1PTPRAPTPRB
SCHEMBL7069536 0.79 PTPRC (0.41) LMNATP53MAPTPTPRCPTPN2
SCHEMBL6833427 0.78 ALB (0.50) MCL1GRM4LMNATP53MAPT
SCHEMBL6017856 0.77 MCL1 (0.66) MCL1GRM4MAPTPHGDHMEN1
SCHEMBL6830673 0.76 TRPA1 (0.46) MCL1GRM4LMNATP53MAPT
SCHEMBL417998 0.75 SERPINE1 (0.61) LMNATP53MAPTPHGDHMEN1
SCHEMBL14075414 0.74 MEN1 (0.70) MCL1MAPTPTPRCPTPN2PTPN1

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 MCL1 2086/4885GRM4 4521/4885LMNA 3376/4885

“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.