SCHEMBL6833804

SCHEMBL6833804

O=C(Nc1ccc(Br)cc1C(=O)O)c1cc(-c2ccccc2Cl)on1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.57
MEN1 O00255 9/20 0.57
KMT2A Q03164 9/20 0.57
RAB9A P51151 8/20 0.57
HCRTR1 O43613 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.53
HPGD P15428 3/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAPT P10636 2/20 0.48
AKR1C4 P17516 1/20 0.48
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
AKR1C1 Q04828 1/20 0.48
NPY1R P25929 1/20 0.47
NPY2R P49146 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TP53 P04637 1/20 0.47

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
SCHEMBL6833999 0.90 NPC1 (0.61) NPC1MEN1KMT2ARAB9AHCRTR1
SCHEMBL6835773 0.88 KMT2A (0.54) NPC1MEN1KMT2ARAB9AL3MBTL1
SCHEMBL6813965 0.86 MEN1 (0.72) NPC1MEN1KMT2ARAB9AL3MBTL1
SCHEMBL6817565 0.85 KMT2A (0.60) NPC1MEN1KMT2ARAB9AHCRTR1
SCHEMBL6830650 0.85 HSD17B10 (0.65) NPC1MEN1KMT2ARAB9AHPGD
SCHEMBL6833933 0.84 NPC1 (0.54) NPC1MEN1KMT2ARAB9AHCRTR1
SCHEMBL6830546 0.79 KMT2A (0.53) NPC1MEN1KMT2ARAB9AHCRTR1
SCHEMBL1307557 0.78 TP53 (0.67) MEN1KMT2ARAB9AHPGDALDH1A1
SCHEMBL6818030 0.78 MEN1 (0.66) NPC1MEN1KMT2AALDH1A1MAPT
SCHEMBL6813586 0.77 ALDH1A1 (0.44) NPC1MEN1KMT2ARAB9AHCRTR1

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 NPC1 3778/4885MEN1 4132/4885KMT2A 2853/4885

“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.