SCHEMBL3623985

SCHEMBL3623985

COC(=O)C(Cc1ccccc1)Sc1ccccc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.43
ALDH1A1 P00352 2/20 0.42
THRB P10828 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 2/20 0.41
ANPEP P15144 2/20 0.41
LTA4H P09960 1/20 0.41
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
MIF P14174 1/20 0.40
TSHR P16473 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
SCHEMBL10439990 0.80 LDHA (0.52) KMT2AALDH1A1HSD17B10POLBANPEP
SCHEMBL10588607 0.76 ALDH1A1 (0.45) MEN1KMT2AALDH1A1HSD17B10POLB
SCHEMBL1855181 0.75 ATM (0.48) MEN1KMT2AATMALDH1A1THRB
SCHEMBL6054516 0.75 ATM (0.48) MEN1KMT2AATMALDH1A1THRB
SCHEMBL6933947 0.73 ESR1 (0.52) KMT2AATMALDH1A1LTA4HMIF
SCHEMBL10589447 0.71 HSD17B10 (0.44) MEN1KMT2AALDH1A1HSD17B10POLB
Phenylalanine Methyl Ester SCHEMBL74888 0.71 SLC7A5 (0.63) MEN1KMT2AATMALDH1A1THRB
Phenylalanine Methyl Ester SCHEMBL74887 0.71 SLC7A5 (0.63) MEN1KMT2AATMALDH1A1THRB
Phenylalanine Methyl Ester SCHEMBL186022 0.71 SLC7A5 (0.63) MEN1KMT2AATMALDH1A1THRB
Phenylalanine Methyl Ester SCHEMBL27880854 0.71 SLC7A5 (0.63) MEN1KMT2AATMALDH1A1THRB

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 492/4885ATM 2035/4885

“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.