SCHEMBL3628819

SCHEMBL3628819

COc1cccc(C2CSc3ccccc3N2)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
NPC1 O15118 3/20 0.62
GAA P10253 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HTR2C P28335 3/20 0.43
NOX1 Q9Y5S8 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HSD17B10 Q99714 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HTR2A P28223 1/20 0.39
HTR2B P41595 1/20 0.39

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
SCHEMBL3624250 0.80 RORC (0.40) MEN1KMT2ANPC1GAAKDM4E
SCHEMBL3624232 0.79 MEN1 (0.96) MEN1KMT2ANPC1GAAKDM4E
SCHEMBL7296949 0.79 HTR2C (0.48) MEN1KMT2ANPC1GAAKDM4E
SCHEMBL7296419 0.77 DDB1 (0.55) MEN1KMT2ANPC1GAAKDM4E
SCHEMBL29746300 0.74 GID4 (0.51) MEN1KMT2ANPC1GAAKDM4E
SCHEMBL28462830 0.74 GID4 (0.51) MEN1KMT2ANPC1GAAKDM4E
SCHEMBL26613479 0.74 GID4 (0.51) MEN1KMT2ANPC1GAAKDM4E
SCHEMBL16928582 0.71 MEN1 (0.73) MEN1KMT2ANPC1GAAKDM4E
SCHEMBL15508303 0.71 MEN1 (0.73) MEN1KMT2ANPC1GAAKDM4E
SCHEMBL2379977 0.70 NPC1 (0.48) MEN1KMT2ANPC1GAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2392567-A1 BENZOTHIAZINE DERIVATIVES AND THEIR USE AS LXR MODULATORS Bristol-Myers Squibb Company (US) 2011-12-07 EP disclosed
US-7741317-B2 LXR modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-22 US disclosed
US-20070093470-A1 LXR modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-26 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-20070093470-A1 LXR modulators NR1H2, NR1H3, RXRB MEN1 3861/4885KMT2A 492/4885NPC1 105/4885

“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.