SCHEMBL450059

SCHEMBL450059

Cc1ccc(-n2c(C(C)N(C)S(=O)(=O)c3cccc(Cl)c3C)nc3ccccc3c2=O)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDO2 P48775 3/20 0.43
IDO2 Q6ZQW0 3/20 0.43
IDO1 P14902 2/20 0.43
GAA P10253 1/20 0.39
LMNA P02545 3/20 0.39
TP53 P04637 3/20 0.39
APAF1 O14727 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CXCR3 P49682 1/20 0.37
HTR7 P34969 2/20 0.36
HSP90AA1 P07900 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
SCHEMBL451936 0.94 ALDH1A1 (0.53) ALDH1A1MAPTKDM4ESMN1; SMN2TDO2
SCHEMBL451938 0.89 ALDH1A1 (0.54) ALDH1A1MAPTKDM4ESMN1; SMN2TDO2
SCHEMBL450965 0.89 ALDH1A1 (0.56) ALDH1A1MAPTKDM4ESMN1; SMN2TDO2
SCHEMBL452705 0.89 ALDH1A1 (0.52) ALDH1A1MAPTKDM4ESMN1; SMN2TDO2
SCHEMBL453890 0.87 ALDH1A1 (0.56) ALDH1A1MAPTKDM4ESMN1; SMN2TDO2
SCHEMBL451647 0.87 ALDH1A1 (0.52) ALDH1A1MAPTKDM4ESMN1; SMN2TDO2
SCHEMBL453803 0.86 ALDH1A1 (0.51) ALDH1A1MAPTKDM4ESMN1; SMN2TDO2
SCHEMBL451983 0.85 ALDH1A1 (0.54) ALDH1A1MAPTKDM4ESMN1; SMN2TDO2
SCHEMBL452764 0.85 ALDH1A1 (0.56) ALDH1A1MAPTKDM4ESMN1; SMN2TDO2
SCHEMBL454036 0.85 ALDH1A1 (0.56) ALDH1A1MAPTKDM4ESMN1; SMN2TDO2

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 55 patents — showing the first 20. 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
EP-2883865-B1 Compound capable of binding S1P receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO (JP) 2019-09-25 EP disclosed
EP-2883865-A1 Compound capable of binding S1P receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2015-06-17 EP disclosed
US-20150105415-A1 TRICYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2015-04-16 US disclosed
US-8952158-B2 Tricyclic compound and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2015-02-10 US disclosed
EP-1661881-B1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO (JP) 2014-12-17 EP disclosed
EP-2592066-B1 Aminocarboxylic acid derivative and medical use thereof ONO PHARMACEUTICAL CO (JP) 2014-12-03 EP disclosed
US-20140288034-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2014-09-25 US disclosed
US-8791159-B2 Compound capable of binding S1P receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-07-29 US disclosed
EP-1760071-A1 COMPOUND HAVING S1P RECEPTOR BINDING POTENCY AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-03-07 EP disclosed
EP-1698335-A1 PREVENTIVE AND/OR THERAPEUTIC AGENT FOR DISEASE IN WHICH MITOCHONDRIAL BENZODIAZEPINE RECEPTOR PARTICIPATES ONO PHARMACEUTICAL CO., LTD. (JP) 2006-09-06 EP disclosed
EP-1683797-A1 HETEROCYCLIC SPIRO COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2006-07-26 EP disclosed
US-20060154944-A1 Novel tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2006-07-13 US disclosed
EP-1679309-A1 ANTISTRESS DRUG AND MEDICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
EP-1661881-A2 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-05-31 EP disclosed
EP-1661879-A1 DIPHENYL ETHER COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE ONO PHARMACEUTICAL CO., LTD. (JP) 2006-05-31 EP disclosed
EP-1637521-A1 NOVEL TRICYCLIC HETEROCYCLE COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2006-03-22 EP 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 (5 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-20140288034-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR2, S1PR3 ALDH1A1 1768/4885MAPT 4760/4885KDM4E 2041/4885
US-20120064025-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 ALDH1A1 3161/4885MAPT 4075/4885KDM4E 3717/4885
US-20060154944-A1 Novel tricyclic heterocycle compound CYP11B1, CYP11B2, HCCS ALDH1A1 1422/4885MAPT 4705/4885KDM4E 3424/4885
US-20150105415-A1 TRICYCLIC COMPOUND AND USE THEREOF SI, ALPI, SLC10A2 ALDH1A1 864/4885MAPT 2331/4885KDM4E 2901/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 ALDH1A1 3161/4885MAPT 4075/4885KDM4E 3717/4885

“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.