SCHEMBL2527588

SCHEMBL2527588

Cc1c(Cl)cc(N)c(O)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.44
GAA P10253 4/20 0.42
ALDH1A1 P00352 5/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 3/20 0.39
TSHR P16473 3/20 0.39
HSD17B10 Q99714 3/20 0.39
CASP1 P29466 1/20 0.39
MMP14 P50281 1/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37
TP53 P04637 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL31532309 1.00 CD44 (0.44) CD44GAAALDH1A1MAPTKDM4E
Hydrochloric Acid SCHEMBL3843541 0.98 ALDH1A1 (0.44) CD44GAAALDH1A1MAPTKDM4E
Hydrochloric Acid SCHEMBL8223051 0.86 ACHE (0.43) CD44GAAALDH1A1MAPTKDM4E
SCHEMBL6065571 0.82 HSD17B10 (0.46) CD44GAAALDH1A1MAPTKDM4E
SCHEMBL17744621 0.78 CD44 (0.41) CD44GAAALDH1A1MAPTKDM4E
SCHEMBL10771021 0.78 HSD17B10 (0.59) GAAALDH1A1MAPTKDM4ELMNA
SCHEMBL11155205 0.78 HSD17B10 (0.59) CD44GAAALDH1A1MAPTKDM4E
SCHEMBL7023508 0.76 HSD17B10 (0.44) GAAALDH1A1MAPTLMNAHPGD
SCHEMBL157575 0.76 CYP3A4 (0.44) GAAALDH1A1MAPTKDM4ELMNA
SCHEMBL5526674 0.75 THRB (0.46) GAAALDH1A1MAPTKDM4ELMNA

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 119 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10639257-B2 Composition for colouring keratin fibres BEAUTY & BUSINESS S.P.A. (IT) 2020-05-05 US claimed
US-20190117541-A1 COMPOSITION FOR COLOURING KERATIN FIBRES BEAUTY & BUSINESS S.P.A. (IT) 2019-04-25 US claimed
US-9993413-B2 Keratin fibre dyeing composition BEAUTY & BUSINESS S.P.A. (IT) 2018-06-12 US claimed
US-20170258695-A1 KERATIN FIBRE DYEING COMPOSITION BEAUTY & BUSINESS S.P.A. (IT) 2017-09-14 US claimed
WO-2015104713-A1 COLORING COMPOSITIONS AND METHODS Ramot at Tel- Aviv University Ltd. (IL) 2015-07-16 WO claimed
US-20110065760-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES AND USE THEREOF JERINI AG (DE) 2011-03-17 US claimed
US-7652089-B2 Nanocomposite, nanocomposite electrolyte membrane and fuel using the same SAMSUNG SDI CO., LTD. (KR) 2010-01-26 US claimed
EP-2100876-A2 New compounds for the inhibition of rotamases and use thereof Jerini AG (DE) 2009-09-16 EP claimed
US-20080176126-A1 ELECTROLYTE MEMBRANE COMPRISING NANOCOMPOSITE ION COMPLEX, MANUFACTURING METHOD THEREOF, AND FUEL CELL INCLUDING THE SAME SAMSUNG SDI CO, LTD. (KR) 2008-07-24 US claimed
US-20070072982-A1 Nanocomposite, nanocomposite electrolyte membrane and fuel using the same SAMSUNG SDI CO., LTD. (KR) 2007-03-29 US claimed
EP-1539683-A2 PHENOL DERIVATIVES AND THEIR USE AS ROTAMASE INHIBITORS Jerini AG (DE) 2005-06-15 EP claimed
EP-1066269-B1 TRISUBSTITUTED 1,3,5-TRIAZINE DERIVATIVES FOR TREATMENT OF HIV INFECTIONS JANSSEN PHARMACEUTICA NV (BE) 2005-05-11 EP claimed
WO-2004030664-A2 NEW COMPOUNDS FOR THE INHIBITION OF UNDESIRED CELL PROLIFERATION AND USE THEREOF JERINI AG (DE) 2004-04-15 WO claimed
WO-2004026815-A2 PHENOL DERIVATIVES AND THEIR USE AS ROTAMASE INHIBITORS JERINI AG (DE) 2004-04-01 WO claimed
EP-1402887-A1 New compounds for the inhibition of undesired cell proliferation and use thereof Jerini AG (DE) 2004-03-31 EP claimed
EP-1402888-A1 The use of substituted carbocyclic compounds as rotamases inhibitors Jerini AG (DE) 2004-03-31 EP claimed
US-20020115668-A1 Trisubstituted 1,3,5-triazine derivatives DAEYAERT FREDERIK FRANS DESIRE (BE) 2002-08-22 US claimed
EP-1066269-A1 TRISUBSTITUTED 1,3,5-TRIAZINE DERIVATIVES FOR TREATMENT OF HIV INFECTIONS JANSSEN PHARMACEUTICA N.V. (BE) 2001-01-10 EP claimed
US-6150360-A ADMINISTERING TO A PATIENT SUFFERING FROM HUMAN IMMUNODEFICIENCY VIRUS INFECTION A TRISUBSTITUTED 1,3,5-TRIAZINE DERIVATIVE JANSSEN PHARMACEUTICA N.V. (BE) 2000-11-21 US claimed
WO-1999050256-A1 TRISUBSTITUTED 1,3,5-TRIAZINE DERIVATIVES FOR TREATMENT OF HIV INFECTIONS JANSSEN PHARMACEUTICA N.V. (BE) 1999-10-07 WO claimed

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-20020115668-A1 Trisubstituted 1,3,5-triazine derivatives XDH, CCR5, CXCR1 CD44 4839/4885GAA 4227/4885ALDH1A1 3722/4885
US-20110065760-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES AND USE THEREOF NR1I3, NR1D1, NR1D2 CD44 3264/4885GAA 4010/4885ALDH1A1 2565/4885

“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.