SCHEMBL6712016

SCHEMBL6712016

O=C(COCc1ccccc1)Nc1cccc2cc(C(=O)Nc3ccc(Cl)cc3-c3nnn[nH]3)[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
NHERF1 O14745 2/20 0.38
POLB P06746 3/20 0.38
G6PD P11413 1/20 0.38
MAPT P10636 1/20 0.36
PLCG2 P16885 1/20 0.35
CSNK1D P48730 1/20 0.35
PTPRC P08575 1/20 0.35
PTPN1 P18031 1/20 0.35
LMNA P02545 1/20 0.35
SERPINE1 P05121 1/20 0.35

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
SCHEMBL6713366 0.91 ADORA3 (0.39) ADORA3ADORA2AADORA1POLBMAPT
SCHEMBL6708820 0.90 PARP14 (0.41) NHERF1POLBPLCG2LMNA
SCHEMBL6712023 0.89 RAB9A (0.46) CETPPOLBG6PDMAPTLMNA
SCHEMBL6713713 0.89 ADORA3 (0.37) ADORA3ADORA2AADORA1POLBMAPT
SCHEMBL6714114 0.88 ALOX15 (0.45) NHERF1PLCG2LMNA
SCHEMBL6714268 0.88 LMNA (0.39) NHERF1POLBG6PDMAPTPLCG2
SCHEMBL6713400 0.88 TP53 (0.35) NHERF1POLBG6PDMAPTPLCG2
SCHEMBL6921109 0.87 NPC1 (0.41) POLBG6PDLMNA
SCHEMBL6713077 0.87 MEN1 (0.40) ADORA3ADORA1NHERF1
SCHEMBL6712041 0.86 LMNA (0.41) ADORA1NHERF1POLBPLCG2CSNK1D

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-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 US disclosed
WO-2004018461-A2 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO 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-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 CETP 4517/4885ADORA3 3118/4885ADORA2A 3216/4885

“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.