SCHEMBL451133

SCHEMBL451133

Cc1ccc(-n2c(C(C)N(C)S(=O)(=O)c3ccc(C(C)(C)C)cc3)nc3ccc(N4CCOCC4)cc3c2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 4/20 0.45
IDO2 Q6ZQW0 4/20 0.45
HSD11B1 P28845 1/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 5/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
IDO1 P14902 3/20 0.37
USP2 O75604 1/20 0.36
RORC P51449 2/20 0.36
S1PR1 P21453 1/20 0.36
MAPK14 Q16539 1/20 0.35

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
SCHEMBL450873 0.92 TDO2 (0.41) TDO2IDO2HSD11B1ALDH1A1POLB
SCHEMBL451474 0.89 PRSS1 (0.44) TDO2IDO2KDM4EALDH1A1POLB
SCHEMBL451728 0.86 PI4KA (0.38) HSD11B1ALDH1A1POLBPRSS1CXCR3
SCHEMBL448991 0.86 CXCR3 (0.39) HSD11B1ALDH1A1POLBPRSS1CXCR3
SCHEMBL454714 0.85 MAPT (0.38) HSD11B1KDM4EALDH1A1MEN1KMT2A
SCHEMBL451709 0.84 HSD11B1 (0.42) TDO2IDO2HSD11B1KDM4EALDH1A1
SCHEMBL449395 0.84 ALDH1A1 (0.39) ALDH1A1RAB9ASMN1; SMN2CXCR3NPSR1
SCHEMBL451993 0.84 PI4KA (0.40) ALDH1A1RAB9APRSS1CXCR3NPSR1
SCHEMBL451363 0.83 CXCR3 (0.48) ALDH1A1RAB9ASMN1; SMN2PRSS1CXCR3
SCHEMBL449635 0.83 PTGES (0.39) POLBPRSS1CXCR3

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
US-8748440-B2 Quinazolinone modulators of nuclear receptors EXELIXIS, INC. (US) 2014-06-10 US claimed
US-20120064025-A1 Quinazolinone Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2012-03-15 US claimed
EP-1521746-B1 QUINAZOLINONE MODULATORS OF NUCLEAR RECEPTORS X CEPTOR THERAPEUTICS INC (US) 2011-04-27 EP claimed
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors X-CEPTOR THERAPEUTICS, INC. (US) 2008-03-20 US claimed
US-8748440-B2 Quinazolinone modulators of nuclear receptors EXELIXIS, INC. (US) 2014-06-10 US disclosed
US-20120064025-A1 Quinazolinone Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2012-03-15 US disclosed
EP-1521746-B1 QUINAZOLINONE MODULATORS OF NUCLEAR RECEPTORS X CEPTOR THERAPEUTICS INC (US) 2011-04-27 EP disclosed
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors X-CEPTOR THERAPEUTICS, INC. (US) 2008-03-20 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 (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-20120064025-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 TDO2 3664/4885IDO2 4127/4885HSD11B1 409/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 TDO2 3664/4885IDO2 4127/4885HSD11B1 409/4885

“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.