SCHEMBL5748064

SCHEMBL5748064

Cn1c(C([NH])=O)cc2ccccc21

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.71
SLC9A1 P19634 1/20 0.59
MAPT P10636 1/20 0.58
DAO P14920 2/20 0.51
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
PHGDH O43175 1/20 0.51
IDO1 P14902 1/20 0.50

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
SCHEMBL16599480 0.85 MCL1 (0.76) MCL1SLC9A1MAPTDAOMEN1
SCHEMBL401039 0.83 MCL1 (0.73) MCL1SLC9A1MAPTDAOMEN1
SCHEMBL117186 0.83 MCL1 (1.00) MCL1SLC9A1MAPTDAOMEN1
SCHEMBL2322980 0.81 MCL1 (0.71) MCL1SLC9A1MAPTDAOMEN1
Hydrochloric Acid SCHEMBL8600262 0.81 MCL1 (0.96) MCL1SLC9A1MAPTDAOMEN1
SCHEMBL2323444 0.81 MCL1 (0.71) MCL1SLC9A1MAPTDAOMEN1
SCHEMBL10350688 0.80 MCL1 (0.69) MCL1SLC9A1MAPTDAOMEN1
Hydrochloric Acid SCHEMBL28264080 0.80 MCL1 (0.69) MCL1SLC9A1MAPTDAOMEN1
Potassium Ion SCHEMBL15876031 0.80 MCL1 (0.69) MCL1SLC9A1MAPTDAOMEN1
SCHEMBL27467673 0.80 MCL1 (0.74) MCL1SLC9A1MAPTDAOMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 US claimed
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US claimed
WO-2004018461-A2 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO claimed
EP-1020446-B1 NAPHTHALIMIDOBENZAMIDE DERIVATIVES TAIHO PHARMACEUTICAL CO LTD (JP) 2006-03-15 EP disclosed
US-6300331-B1 DRUGS AS ANTITUMOR AGENTS OR ANTICARCINOGENIC AGENTS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2001-10-09 US disclosed
EP-1020446-A1 NAPHTHALIMIDOBENZAMIDE DERIVATIVES TAIHO PHARMACEUTICAL CO., LTD. (JP) 2000-07-19 EP 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 (2 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-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 MCL1 2770/4885SLC9A1 2930/4885MAPT 4754/4885
US-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 MCL1 2086/4885SLC9A1 3148/4885MAPT 4759/4885

“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.