SCHEMBL177856

SCHEMBL177856

CCCCC[N]NCCCCC

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
ALDH1A1 P00352 1/20 0.46
EPHX1 P07099 8/20 0.42
ADH1B P00325 2/20 0.37
ADH1C P00326 2/20 0.37
ADH1A P07327 2/20 0.37
ADH7 P40394 2/20 0.37
ADH4 P08319 1/20 0.37
NAAA Q02083 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
THRB P10828 1/20 0.35
PPARA Q07869 2/20 0.33
GBA1 P04062 2/20 0.32
CASP2 P42575 1/20 0.32

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
SCHEMBL1793351 0.97 EPHX1 (0.46) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL1792344 0.97 EPHX1 (0.46) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL1793038 0.97 EPHX1 (0.46) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL11154609 0.95 TSHR (0.39) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL10566376 0.92 EPHX1 (0.40) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL7282001 0.89 EPHX1 (0.62) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL1797346 0.86 GRIN2D (0.41) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL10879464 0.83 SMN1; SMN2 (0.42) TSHRALDH1A1EPHX1NAAAMEN1
SCHEMBL6975202 0.81
SCHEMBL5442155 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0014307-A1 1.4-Distyrylbenzene derivatives, their preparation and their use as optical brighteners and laser dyes BAYER AG (DE) 1980-08-20 EP claimed
US-8871210-B2 Chemokine receptor antagonists and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-10-28 US disclosed
US-8822459-B2 Compound containing basic group and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-09-02 US disclosed
EP-1790639-B1 SPIROCYCLIC COMPOUNDS AND THEIR USE AS CXCR4-ANTAGONISTS ONO PHARMACEUTICAL CO (JP) 2014-03-26 EP disclosed
US-8680092-B2 Nitrogenous heterocyclic compound and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-03-25 US disclosed
US-20140072576-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2014-03-13 US disclosed
US-8618122-B2 Compound having acidic group which may be protected, and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-12-31 US disclosed
US-8614323-B2 Chemokine receptor antagonists and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-12-24 US disclosed
EP-2657235-A1 Compound containing basic group and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-10-30 EP disclosed
EP-1942108-B1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO (JP) 2013-09-04 EP disclosed
US-20080020985-A1 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF MYRIAD GENETICS, INC. (US) 2008-01-24 US disclosed
US-20080009495-A1 Compound Containing Basic Group and Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-01-10 US disclosed
EP-1852432-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-11-07 EP disclosed
US-20070173497-A1 11-Hydroxy-5h-pyrrolo[2,1-c][1,4] benzodiazepin-5-one derivatives as key intermediates for the preparation of c2 substituted pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2007-07-26 US disclosed
US-7226927-B2 Substituted 2-aryl-4-arylaminopyrimidines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2007-06-05 US disclosed
EP-1790639-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 EP disclosed
US-7144876-B2 3,5-Disubstituted-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2006-12-05 US disclosed
US-20050154031-A1 5-Ht2b receptor antagonists PHARMAGENE LABORATORIES LIMITED (GB) 2005-07-14 US disclosed
US-20050154015-A1 Substituted 4H-chromene and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2005-07-14 US disclosed
US-20040097503-A1 Substituted 2-aryl-4-arylaminopyrimidines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2004-05-20 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 (7 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-20050154015-A1 Substituted 4H-chromene and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP4, CASP3, CASP5 TSHR 2030/4885ALDH1A1 2306/4885EPHX1 847/4885
US-20050154031-A1 5-Ht2b receptor antagonists HTR2B, HTR3B, HTR7 TSHR 71/4885ALDH1A1 2010/4885EPHX1 1441/4885
US-20140072576-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF CXCR4, CXCR1, CXCR3 TSHR 935/4885ALDH1A1 793/4885EPHX1 889/4885
US-20040097503-A1 Substituted 2-aryl-4-arylaminopyrimidines and analogs as activators of caspases and inducers of apoptosis and the use thereof API5, CASP2, APAF1 TSHR 3068/4885ALDH1A1 172/4885EPHX1 2960/4885
US-20070173497-A1 11-Hydroxy-5h-pyrrolo[2,1-c][1,4] benzodiazepin-5-one derivatives as key intermediates for the preparation of c2 substituted pyrrolobenzodiazepines H1-10, DRD1, SBDS TSHR 1313/4885ALDH1A1 844/4885EPHX1 813/4885
US-20080020985-A1 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CASP3, CASP2, CASP5 TSHR 4165/4885ALDH1A1 1221/4885EPHX1 3772/4885
US-20080009495-A1 Compound Containing Basic Group and Use Thereof CXCR4, CCR5, CXCR3 TSHR 2187/4885ALDH1A1 334/4885EPHX1 792/4885

“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.