SCHEMBL6711486

SCHEMBL6711486

O=C(Nc1cccc2cc(C(=O)Nc3ccc(Br)cc3-c3nnn[nH]3)[nH]c12)c1cc2ccccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CCKAR P32238 1/20 0.41
HDAC2 Q92769 1/20 0.40
EGFR P00533 4/20 0.40
PIK3CA P42336 4/20 0.40
HIF1A Q16665 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
IDO1 P14902 1/20 0.39

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
SCHEMBL6709900 0.93 NPC1 (0.47) NPC1LMNARAB9ASMN1; SMN2CCKAR
SCHEMBL6711741 0.92 HIF1A (0.47) HIF1ANPSR1RXFP1
SCHEMBL6713465 0.92 GPR35 (0.43) HIF1ANPSR1RXFP1
SCHEMBL6707953 0.90 MAP3K5 (0.45) LMNAHIF1ANPSR1RXFP1
SCHEMBL6711906 0.89 NHERF1 (0.46) NPC1LMNARAB9ASMN1; SMN2CCKAR
SCHEMBL6707650 0.89 P2RX1 (0.39) NPC1LMNARAB9AHIF1ANPSR1
SCHEMBL6708158 0.88 GPR35 (0.38) LMNAHIF1ANPSR1RXFP1
SCHEMBL6710241 0.88 GPR35 (0.43) LMNASMN1; SMN2HIF1ANPSR1RXFP1
SCHEMBL6710320 0.87 PARP14 (0.39) LMNAHIF1ANPSR1RXFP1
SCHEMBL6712183 0.87 ALDH1A1 (0.47) LMNAHIF1ANPSR1RXFP1

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-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 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-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 NPC1 3891/4885LMNA 4062/4885RAB9A 3732/4885

“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.