SCHEMBL6481114

SCHEMBL6481114

O=C(c1ccc(-c2ccccc2)cc1)c1cnc(-c2ccccc2)s1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.88
RAB9A P51151 8/20 0.88
MAPT P10636 8/20 0.88
ALDH1A1 P00352 5/20 0.88
SMN1; SMN2 Q16637 4/20 0.88
CYP1A2 P05177 3/20 0.81
PPARG P37231 2/20 0.76
NCOA2 Q15596 2/20 0.76
NCOA1 Q15788 2/20 0.76
NCOA3 Q9Y6Q9 2/20 0.76
NFKB1 P19838 1/20 0.76
NFKB2 Q00653 1/20 0.76
RELA Q04206 1/20 0.76
PTPN1 P18031 1/20 0.59
HDAC1 Q13547 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
CYP2D6 P10635 1/20 0.57
MEN1 O00255 2/20 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
SCHEMBL12788381 0.93 NPC1 (1.00) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL6482978 0.89 NPC1 (0.80) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL27768717 0.88 NPC1 (0.83) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL1222603 0.81 ALDH1A1 (0.72) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL3100772 0.78 HDAC6 (0.94) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL892779 0.78 MAPT (0.68) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL850828 0.78 NPC1 (0.68) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL724552 0.77 NPC1 (0.64) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL14814460 0.76 SMN1; SMN2 (0.61) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
Methylsulfanylmethane SCHEMBL28241748 0.75 SMN1; SMN2 (0.64) NPC1RAB9AMAPTALDH1A1SMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6869967-B2 Peroxisome proliferator-activated receptor (PPAR) active vinyl carboxylic acid derivatives NOVO NORDISK A/S (DK) 2005-03-22 US disclosed
EP-1414778-A1 NOVEL VINYL CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS ANTIDIABETICS ETC. NOVO NORDISK A/S (DK) 2004-05-06 EP disclosed
US-20030139473-A1 Novel compounds, their preparation and use VTVX HOLDINGS II LLC 2003-07-24 US disclosed
WO-2003011807-A1 NOVEL VINYL CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS ANTIDIABETICS ETC. NOVO NORDISK A/S (DK) 2003-02-13 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-20030139473-A1 Novel compounds, their preparation and use PPARG, PPARD, PPARA NPC1 546/4885RAB9A 2668/4885MAPT 3939/4885

“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.