SCHEMBL975607

SCHEMBL975607

COCCS(=O)(=O)N1CCN(c2ccc(N3CCNc4ccccc43)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMO Q99835 2/20 0.43
KCNH2 Q12809 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL973736 0.82 ALDH1A1 (0.48) MAPTNPC1TP53LMNAMEN1
SCHEMBL3664917 0.78 THRB (0.45) MAPTTHRBNPC1TP53LMNA
SCHEMBL25840577 0.75 MEN1 (0.55) SMOKCNH2MAPTTHRBTP53
SCHEMBL974634 0.74 KDM4E (0.47) KDM4EGLAMAPTTHRBKMT2A
SCHEMBL974204 0.74 HDAC1 (0.44) MAPTTHRBNPC1TP53LMNA
SCHEMBL3663342 0.73 HSD11B1 (0.42) KDM4EMAPTTHRBNPC1TP53
SCHEMBL25839464 0.72 KCNH2 (0.48) SMOKCNH2KDM4EMAPTTHRB
SCHEMBL973529 0.70 MEN1 (0.49) KDM4EMAPTNPC1LMNAMEN1
SCHEMBL30910136 0.69 PIM1 (0.48) KDM4EMAPTNPC1MEN1KMT2A
SCHEMBL30910137 0.69 PIM1 (0.48) KDM4EMAPTNPC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2238126-B1 DERIVATIVES OF TETRAHYDROQUINOXALINE UREA, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI SA (FR) 2014-11-05 EP disclosed
US-8530657-B2 Substituted adamantanes and their therapeutic application SANOFI (FR) 2013-09-10 US disclosed
EP-2590971-A2 COMPOUNDS USEFUL AS ANTIVIRAL AGENTS, COMPOSITIONS, AND METHODS OF USE Fuzians Biomedicals, Inc. (KY) 2013-05-15 EP disclosed
US-20120245148-A1 TETRAHYDROQUINOXALINE UERA DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI (FR) 2012-09-27 US disclosed
US-8211892-B2 Tetrahydroquinoxaline urea derivatives SANOFI-AVENTIS (FR) 2012-07-03 US disclosed
WO-2011160024-A2 COMPOUNDS USEFUL AS ANTIVIRAL AGENTS, COMPOSITIONS, AND METHODS OF USE FUZIANS BIOMEDICALS, INC. (KY) 2011-12-22 WO disclosed
US-20110009391-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI-AVENTIS (FR) 2011-01-13 US disclosed
EP-2238126-A2 DERIVATIVES OF TETRAHYDROQUINOXALINE UREA, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF Sanofi-Aventis (FR) 2010-10-13 EP disclosed
WO-2009112691-A2 DERIVATIVES OF TETRAHYDROQUINOXALINE UREA, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-09-17 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 (2 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-20110009391-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION BHMT, UGDH, NNMT SMO 3600/4885KCNH2 1780/4885KDM4E 1845/4885
US-20120245148-A1 TETRAHYDROQUINOXALINE UERA DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION UGDH, HNMT, NNMT SMO 3816/4885KCNH2 980/4885KDM4E 1161/4885

“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.