SCHEMBL1160737

SCHEMBL1160737

NC(=O)CC12CC3[CH]C(C(N)=O)(CC(C3)C1)C2

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
GAA P10253 1/20 0.36
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
PKM P14618 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL1161105 0.87 ALDH1A1 (0.38) POLBGAAALDH1A1TSHRPKM
SCHEMBL1160906 0.87 GRIN2D (0.36) POLBGAAALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL9948846 0.85 MEN1 (0.37) POLBGAAALDH1A1KMT2AMEN1
SCHEMBL1161055 0.79 PKM (0.35) ALDH1A1KMT2ATSHRPKM
Hydrochloric Acid SCHEMBL9948049 0.78 PKM (0.34) ALDH1A1KMT2ATSHRPKM
SCHEMBL1116542 0.75 PKM (0.38) ALDH1A1PKM
SCHEMBL1160005 0.75 PKM (0.38) ALDH1A1PKM
SCHEMBL3666792 0.75 POLB (0.39) POLBTSHRPKMLMNA
SCHEMBL1159962 0.75 PKM (0.31) ALDH1A1KMT2AMEN1PKMLMNA
SCHEMBL1159963 0.75 PKM (0.31) ALDH1A1KMT2AMEN1PKMLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2459548-B1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-11-19 EP claimed
US-8536173-B2 Tetrahydroquinoxaline urea derivatives as modulators of 11-B-hydroxysteroid dehydrogenase type I SANOFI (FR) 2013-09-17 US claimed
US-20120165337-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-06-28 US claimed
EP-2459548-B1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-11-19 EP disclosed
US-8536173-B2 Tetrahydroquinoxaline urea derivatives as modulators of 11-B-hydroxysteroid dehydrogenase type I SANOFI (FR) 2013-09-17 US disclosed
US-20120165337-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-06-28 US disclosed
EP-2459548-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-06-06 EP disclosed
WO-2011012800-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-02-03 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-20120165337-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF NR2C2, CBR3, NR0B2 POLB 1979/4885GAA 4339/4885ALDH1A1 2230/4885

“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.