SCHEMBL3618016

SCHEMBL3618016

Clc1ccccc1C1CSc2ccccc2N1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.59
KMT2A Q03164 5/20 0.59
NPC1 O15118 1/20 0.59
MAPT P10636 3/20 0.45
TSHR P16473 3/20 0.41
GAA P10253 3/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
PBRM1 Q86U86 1/20 0.38
IDO1 P14902 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
TP53 P04637 2/20 0.33
RECQL P46063 2/20 0.33
ACHE P22303 2/20 0.33

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
SCHEMBL3625511 0.78 RORC (0.38) MEN1KMT2ANPC1MAPTTSHR
SCHEMBL3624232 0.76 MEN1 (0.96) MEN1KMT2ANPC1MAPTTSHR
SCHEMBL15508303 0.71 MEN1 (0.73) MEN1KMT2ANPC1MAPTGAA
SCHEMBL16928582 0.71 MEN1 (0.73) MEN1KMT2ANPC1MAPTGAA
SCHEMBL28782592 0.70 SLC6A3 (0.47) MEN1KMT2AMAPTTSHRGAA
SCHEMBL21776257 0.68 MEN1 (0.56) MEN1KMT2ANPC1MAPTTSHR
SCHEMBL14048753 0.68 MEN1 (0.56) MEN1KMT2ANPC1MAPTGAA
SCHEMBL14224846 0.68 MEN1 (0.51) MEN1KMT2ANPC1MAPTGAA
SCHEMBL17634166 0.68 MEN1 (0.68) MEN1KMT2ANPC1MAPTTSHR
SCHEMBL17634174 0.68 MEN1 (0.55) MEN1KMT2ANPC1MAPTGAA

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 5 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
EP-1951676-A2 LXR MODULATORS Brystol-Myers Squibb Company (US) 2008-08-06 EP disclosed
WO-2007050425-A2 LXR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-03 WO 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.