SCHEMBL5322959

SCHEMBL5322959

CC(=O)c1ccc(Sc2ccc(Cl)cc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.79
LMNA P02545 4/20 0.79
L3MBTL1 Q9Y468 2/20 0.79
ALDH1A1 P00352 2/20 0.68
MAPT P10636 3/20 0.56
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
RAB9A P51151 2/20 0.56
NPC1 O15118 1/20 0.56
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NLRP1 Q9C000 1/20 0.56
MAOA P21397 2/20 0.50
MAOB P27338 2/20 0.50
CES2 O00748 2/20 0.48
CES1 P23141 2/20 0.48
CTRC Q99895 1/20 0.47
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL1755726 0.89 HPGD (1.00) HPGDLMNAL3MBTL1ALDH1A1MAPT
SCHEMBL835108 0.89 HPGD (1.00) HPGDLMNAL3MBTL1ALDH1A1MAPT
SCHEMBL28193245 0.87 MAPT (0.69) HPGDLMNAL3MBTL1ALDH1A1MAPT
SCHEMBL17187946 0.87 MAPT (0.69) HPGDLMNAL3MBTL1ALDH1A1MAPT
SCHEMBL75640 0.87 MAPT (0.69) HPGDLMNAL3MBTL1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL27858043 0.84 MAPT (0.67) HPGDLMNAL3MBTL1ALDH1A1MAPT
Ammonia Solution, Strong SCHEMBL17180520 0.84 MAPT (0.67) HPGDLMNAL3MBTL1ALDH1A1MAPT
SCHEMBL9475945 0.83 SRD5A2 (0.61) HPGDLMNAL3MBTL1ALDH1A1MAPT
SCHEMBL8967091 0.83 SRD5A2 (0.61) HPGDLMNAL3MBTL1ALDH1A1MAPT
Nitrogen SCHEMBL27858242 0.82 MAPT (0.64) HPGDLMNAL3MBTL1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11427536-B2 Photocatalyst-free, light-induced carbon-sulfur cross-coupling methods THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2022-08-30 US disclosed
US-20180370911-A1 PHOTOCATALYST-FREE, LIGHT-INDUCED CARBON-SULFUR CROSS-COUPLING METHODS U.S. DEPARTMENT OF ENERGY 2018-12-27 US disclosed
EP-1349841-B1 ANILINOPYRIMIDINE DERIVATIVES AS IKK INHIBITORS AND COMPOSITIONS AND METHODS RELATED THERETO SIGNAL PHARM LLC (US) 2009-12-02 EP disclosed
US-7442699-B2 Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, LLC (US) 2008-10-28 US disclosed
US-7442699-B2 Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, LLC (US) 2008-10-28 US disclosed
US-7429599-B2 Methods for treating or preventing an inflammatory or metabolic condition or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC (US) 2008-09-30 US disclosed
US-7429599-B2 Methods for treating or preventing an inflammatory or metabolic condition or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC (US) 2008-09-30 US disclosed
WO-2007114916-A2 ARYLBENZYLPIPERIDINE COMPOUNDS H. LUNDBECK A/S (DK) 2007-10-11 WO disclosed
US-20070082934-A1 Substituted 4-aryloxy and 4-arylsulfanyl-phenyl-2-aminothiazoles as inhibitors of cell proliferation UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2007-04-12 US disclosed
WO-2005044263-A1 SUBSTITUTED 4-ARYLOXY AND 4-ARYLSULFANYL-PHENYL-2-AMINOTHIAZOLES AS INHIBITORS OF CELL PROLIFERATION UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2005-05-19 WO disclosed
WO-2004084901-A1 METHODS FOR TREATING OR PREVENTING AN INFLAMMATORY OR METABOLIC CONDITION BY INHIBITING JNK SIGNAL PHARMACEUTICALS, LLC (US) 2004-10-07 WO disclosed
US-4055652-A 1-[β(R-thio)phenethyl]imidazoles and derivatives thereof SYNTEX (U.S.A.) INC. (US) 1977-10-25 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 (3 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-20180370911-A1 PHOTOCATALYST-FREE, LIGHT-INDUCED CARBON-SULFUR CROSS-COUPLING METHODS TST, CBS, CRY2 HPGD 1394/4885LMNA 4215/4885L3MBTL1 1004/4885
US-20070082934-A1 Substituted 4-aryloxy and 4-arylsulfanyl-phenyl-2-aminothiazoles as inhibitors of cell proliferation MKI67, CCNI, CDK4 HPGD 2433/4885LMNA 4630/4885L3MBTL1 2111/4885
US-11427536-B2 Photocatalyst-free, light-induced carbon-sulfur cross-coupling methods TST, CBS, CRY2 HPGD 1394/4885LMNA 4215/4885L3MBTL1 1004/4885

“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.