SCHEMBL6817708

SCHEMBL6817708

O=C(Nc1ccc(Br)cc1C(=O)O)c1cc2ccccc2o1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 12/20 0.63
▸ NPC1 O15118 11/20 0.63
▸ TP53 P04637 5/20 0.63
▸ MEN1 O00255 3/20 0.63
▸ KMT2A Q03164 3/20 0.63
▸ TSHR P16473 1/20 0.63
▸ MAPK1 P28482 1/20 0.63
▸ NLRP3 Q96P20 1/20 0.63
▸ GALK1 P51570 1/20 0.62
▸ SMN1; SMN2 Q16637 3/20 0.60
▸ PKM P14618 1/20 0.60
▸ NFKB1 P19838 1/20 0.60
▸ NFKB2 Q00653 1/20 0.60
▸ RELA Q04206 1/20 0.60
▸ ATM Q13315 1/20 0.58
▸ AKR1C4 P17516 1/20 0.57
▸ AKR1C3 P42330 1/20 0.57
▸ AKR1C2 P52895 1/20 0.57
▸ AKR1C1 Q04828 1/20 0.57
▸ KDM4E B2RXH2 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
SCHEMBL13701152 0.87 RAB9A (0.74) RAB9ANPC1TP53MEN1KMT2A
SCHEMBL4386355 0.85 NPC1 (0.77) RAB9ANPC1MEN1KMT2ATSHR
SCHEMBL6924687 0.83 GALK1 (0.57) RAB9ANPC1TP53MEN1KMT2A
SCHEMBL3618549 0.80 NPC1 (0.78) RAB9ANPC1TP53MEN1KMT2A
SCHEMBL6818958 0.79 ALDH1A1 (0.53) RAB9ANPC1TP53MEN1KMT2A
SCHEMBL6835903 0.79 ALDH1A1 (0.70) RAB9ANPC1MEN1KMT2ATSHR
SCHEMBL2270361 0.79 RAB9A (0.59) RAB9ANPC1TP53MEN1KMT2A
SCHEMBL9513479 0.78 MAPT (0.80) MEN1KMT2ATSHRPKMAKR1C4
SCHEMBL6933566 0.77 CYP1A2 (0.61) RAB9ANPC1MEN1KMT2ATSHR
SCHEMBL2275875 0.77 RAB9A (0.56) RAB9ANPC1TP53MEN1KMT2A

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-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 — — US disclosed
WO-2004018428-A1 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-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 RAB9A 4337/4885NPC1 3778/4885TP53 2331/4885

“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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