SCHEMBL6709900

SCHEMBL6709900

O=C(Nc1ccc(Br)cc1-c1nnn[nH]1)c1cc2ccccc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HIF1A Q16665 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
IDO1 P14902 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
CCKAR P32238 1/20 0.43
EGFR P00533 3/20 0.42
PIK3CA P42336 3/20 0.42
GPR35 Q9HC97 1/20 0.42

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
SCHEMBL6711486 0.93 NPC1 (0.42) NPC1RAB9ALMNASMN1; SMN2HIF1A
SCHEMBL6711642 0.88 NHERF1 (0.49) NPC1RAB9ALMNASMN1; SMN2RXFP1
SCHEMBL6709221 0.87 ALOX15 (0.46) GPR35
SCHEMBL6707766 0.85 NPC1 (0.45) NPC1RAB9ALMNASMN1; SMN2IDO1
SCHEMBL6711679 0.84 GPR35 (0.50) NPC1RAB9ANPSR1RXFP1KDM4E
SCHEMBL6707911 0.84 KDM4E (0.57) NPC1RAB9ANPSR1RXFP1KDM4E
SCHEMBL6711741 0.84 HIF1A (0.47) HIF1ANPSR1RXFP1GPR35
SCHEMBL6707909 0.84 MAP3K5 (0.41) LMNAHIF1ANPSR1RXFP1GPR35
SCHEMBL6709089 0.84 RXFP1 (0.38) HIF1ANPSR1RXFP1GPR35
SCHEMBL6713465 0.84 GPR35 (0.43) HIF1ANPSR1RXFP1GPR35

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 3891/4885RAB9A 3732/4885LMNA 4062/4885

“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.