SCHEMBL3624232

SCHEMBL3624232

c1ccc(C2CSc3ccccc3N2)cc1

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.96
KMT2A Q03164 7/20 0.96
NPC1 O15118 2/20 0.96
ALDH1A1 P00352 5/20 0.44
MAPT P10636 4/20 0.41
GAA P10253 3/20 0.41
KDM4E B2RXH2 3/20 0.41
IDO1 P14902 1/20 0.40
BRD4 O60885 1/20 0.40
HSD17B10 Q99714 2/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 2/20 0.35
PRCP P42785 1/20 0.34
USP2 O75604 1/20 0.34
ESR1 P03372 1/20 0.34
POLB P06746 1/20 0.34
THRB P10828 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL16928582 0.86 MEN1 (0.73) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL15508303 0.86 MEN1 (0.73) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL17634166 0.82 MEN1 (0.68) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL3628819 0.79 MEN1 (0.62) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL3618016 0.76 MEN1 (0.59) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL3623833 0.75 MEN1 (0.57) MEN1KMT2ANPC1
SCHEMBL5993375 0.73 MEN1 (0.56) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL14048753 0.73 MEN1 (0.56) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL21776257 0.73 MEN1 (0.56) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL17295910 0.73 MEN1 (0.56) MEN1KMT2ANPC1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2392567-B1 BENZOTHIAZINE DERIVATIVES AND THEIR USE AS LXR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2014-11-26 EP disclosed
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.