SCHEMBL6933566

SCHEMBL6933566

O=C(Nc1ccc(Br)cc1C(=O)O)c1ccco1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.61
▸ SMN1; SMN2 Q16637 4/20 0.58
▸ NPC1 O15118 2/20 0.58
▸ RAB9A P51151 2/20 0.58
▸ AKR1C4 P17516 1/20 0.58
▸ AKR1C3 P42330 1/20 0.58
▸ AKR1C2 P52895 1/20 0.58
▸ AKR1C1 Q04828 1/20 0.58
▸ KMT2A Q03164 4/20 0.56
▸ LMNA P02545 3/20 0.56
▸ HPGD P15428 3/20 0.56
▸ ALDH1A1 P00352 3/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ HTT P42858 2/20 0.56
▸ GAA P10253 2/20 0.56
▸ MAPT P10636 2/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ NPSR1 Q6W5P4 2/20 0.56
▸ HSD17B10 Q99714 2/20 0.56
▸ ALOX15 P16050 1/20 0.56

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
SCHEMBL6357310 0.91 SIRT6 (0.65) CYP1A2SMN1; SMN2NPC1RAB9AAKR1C4
SCHEMBL6348632 0.89 MEN1 (0.69) RAB9AAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL21701478 0.83 CYP1A2 (0.61) CYP1A2SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL14075179 0.83 LTC4S (0.66) CYP1A2SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL6815137 0.83 GFER (0.71) CYP1A2SMN1; SMN2RAB9AKMT2ALMNA
SCHEMBL28857643 0.82 PKM (0.72) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL15528812 0.81 MAPK1 (0.71) CYP1A2SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL6814636 0.80 CYP1A2 (0.57) CYP1A2RAB9AKMT2ALMNAALDH1A1
SCHEMBL6816902 0.79 ALDH1A1 (0.72) CYP1A2SMN1; SMN2NPC1RAB9AAKR1C4
SCHEMBL6835903 0.79 ALDH1A1 (0.70) SMN1; SMN2NPC1RAB9AAKR1C4AKR1C3

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-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 — — 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-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 CYP1A2 710/4885SMN1; SMN2 2022/4885NPC1 3778/4885

“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.

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