SCHEMBL6709047

SCHEMBL6709047

O=C(Nc1ccc(Br)cc1-c1nnn[nH]1)c1noc2cc(OCc3ccccc3)ccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 1/20 0.37
LRRK2 Q5S007 3/20 0.36
PTGES O14684 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC3 O15379 1/20 0.36
ABL1 P00519 1/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
PDGFRB P09619 1/20 0.36
CDK2 P24941 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
NPC1 O15118 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
SCHEMBL6713738 0.91 HIF1A (0.40) MAOAMAOBALDH1A1GAAMAPT
SCHEMBL6713551 0.88 MAOB (0.38) SMPD1LRRK2MAOAMAOBALDH1A1
SCHEMBL6709974 0.88 GPR35 (0.33) GPR35HIF1A
SCHEMBL6708678 0.86 LRRK2 (0.39) SMPD1LRRK2HDAC1MAOAMAOB
SCHEMBL6710496 0.86 GPR35 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL6709979 0.86 MAOB (0.35) MAOBGPR35HIF1A
SCHEMBL6710174 0.85 HIF1A (0.36) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL6713264 0.84 GPR35 (0.39) NPC1RAB9AALDH1A1GAAHPGD
SCHEMBL6710038 0.84 HIF1A (0.45) HDAC2ALDH1A1GPR35HIF1A
SCHEMBL6708059 0.84 HIF1A (0.49) HIF1A

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 SMPD1 2698/4885LRRK2 4612/4885PTGES 603/4885

“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.