SCHEMBL6707650

SCHEMBL6707650

O=C(Nc1ccc(Br)cc1-c1nnn[nH]1)c1cc2cccc(NC(=O)c3ccccc3O)c2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 1/20 0.39
GPR35 Q9HC97 5/20 0.37
NPC1 O15118 3/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
HIF1A Q16665 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 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
SCHEMBL6712183 0.90 ALDH1A1 (0.47) GPR35LMNAHTTHIF1ANPSR1
SCHEMBL6710216 0.90 KCNMA1 (0.46) NPC1LMNATP53GAAHTT
SCHEMBL6711741 0.89 HIF1A (0.47) GPR35TP53HIF1ANPSR1RXFP1
SCHEMBL6713465 0.89 GPR35 (0.43) GPR35HIF1ANPSR1RXFP1
SCHEMBL6711486 0.89 NPC1 (0.42) NPC1LMNAHIF1ANPSR1RXFP1
SCHEMBL6707728 0.88 PABPC1 (0.39) GPR35NPC1HIF1ANPSR1RXFP1
SCHEMBL6707953 0.88 MAP3K5 (0.45) GPR35LMNATP53HIF1ANPSR1
SCHEMBL6708889 0.87 NR1H4 (0.38) P2RX1NPC1LMNATP53GAA
SCHEMBL6714337 0.86 CCKAR (0.40) HTT
SCHEMBL6707659 0.86 GPR35 (0.49) GPR35NPC1TP53RXFP1POLB

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 P2RX1 1222/4885GPR35 2928/4885NPC1 3891/4885

“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.