SCHEMBL3144115

SCHEMBL3144115

CCOC(=O)c1cnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 5/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.42
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
GABRA2 P47869 2/20 0.41
GABRB2 P47870 2/20 0.41
RARA P10276 1/20 0.41
RARB P10826 1/20 0.41
RARG P13631 1/20 0.41
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL27745237 0.85 TDP1 (0.53) HPGDKMT2AALDH1A1GAAMAPT
SCHEMBL5269393 0.85 TSHR (0.47) KMT2AALDH1A1MAPTTSHRNPC1
SCHEMBL5269260 0.83 ALDH1A1 (0.40) HPGDKMT2AALDH1A1GAAMAPT
SCHEMBL1199301 0.80 CYP2C19 (0.45) HPGDKMT2AALDH1A1GAAMAPT
SCHEMBL5267233 0.80 MAPT (0.42) HPGDKMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL5267243 0.79 ALKBH2 (0.53) MAPTSMN1; SMN2TSHRHTTNPC1
SCHEMBL31409578 0.79 CYP2C19 (0.43) HPGDALDH1A1GAASMN1; SMN2TSHR
SCHEMBL31409579 0.77 CYP2C19 (0.42) HPGDALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL31352171 0.77 CYP2C19 (0.42) HPGDKMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL2411096 0.76 HPGDS (0.62) HPGDKMT2AALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170002011-A1 BENZENE SULFONAMIDES AS CCR9 INHIBITORS NORGINE B.V. (NL) 2017-01-05 US disclosed
US-20170002011-A1 BENZENE SULFONAMIDES AS CCR9 INHIBITORS NORGINE B.V. (NL) 2017-01-05 US disclosed
EP-3087074-A1 BENZENE SULFONAMIDES AS CCR9 INHIBITORS Norgine BV (NL) 2016-11-02 EP disclosed
EP-2099452-B1 TRICARBONYL COMPLEXES WITH TRIDENTATE CHELATORS FOR MYOCARDIUM IMAGING MALLINCKRODT LLC (US) 2015-07-22 EP disclosed
WO-2015097122-A1 BENZENE SULFONAMIDES AS CCR9 INHIBITORS NORGINE B.V. (NL) 2015-07-02 WO disclosed
US-9023315-B2 Tricarbonyl complexes with tridentate chelators for myocardium imaging MALLINCKRODT LLC (US) 2015-05-05 US disclosed
US-8940273-B2 Tricarbonyl complexes with tridentate chelators for myocardium imaging MALLINCKRODT LLC (US) 2015-01-27 US disclosed
US-20130129620-A1 Tricarbonyl Complexes with Tridentate Chelators for Myocardium Imaging MALLINCKRODT LLC (US) 2013-05-23 US disclosed
US-20130131327-A1 Tricarbonyl Complexes with Tridentate Chelators for Myocardium Imaging MALLINCKRODT LLC (US) 2013-05-23 US disclosed
US-8372379-B2 Technetium-99m (I) tricarbonyl complexes with tridentate chelators for myocardium imaging MALLINCKRODT LLC (US) 2013-02-12 US disclosed
US-6468995-B1 ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-10-22 US disclosed
EP-0667868-B1 CEPHEM COMPOUNDS FUJISAWA PHARMACEUTICAL CO (JP) 2002-05-15 EP disclosed
EP-0783495-B1 QUINOXALINE DERIVATIVES USEFUL IN THERAPY PFIZER LTD (GB) 2002-02-27 EP disclosed
US-5852016-A Quinoxaline derivatives useful in therapy PFIZER INC. (US) 1998-12-22 US disclosed
EP-0783495-A1 QUINOXALINE DERIVATIVES USEFUL IN THERAPY Pfizer Limited (GB) 1997-07-16 EP disclosed
WO-1996009295-A1 QUINOXALINE DERIVATIVES USEFUL IN THERAPY PFIZER LIMITED (GB) 1996-03-28 WO disclosed
WO-1995007283-A1 NEW CEPHEM COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-03-16 WO disclosed
EP-0091130-B1 CEPHALOSPORIN DERIVATIVES, PROCESS FOR PREPARING AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID COMPOUNDS DAIICHI SEIYAKU CO., LTD. (JP) 1987-04-08 EP disclosed
US-4603198-A Cephalosporin derivatives DAIICHI SEIYAKU CO., LTD. (JP) 1986-07-29 US disclosed
EP-0091130-A2 Cephalosporin derivatives, process for preparing and pharmaceutical compositions containing said compounds DAIICHI SEIYAKU CO., LTD. (JP) 1983-10-12 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 (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-20130131327-A1 Tricarbonyl Complexes with Tridentate Chelators for Myocardium Imaging TNNT2, TNNI3, FABP3 HPGD 3359/4885KMT2A 2725/4885ALDH1A1 3518/4885
US-20170002011-A1 BENZENE SULFONAMIDES AS CCR9 INHIBITORS CCR9, CCR1, CCR4 HPGD 2107/4885KMT2A 2961/4885ALDH1A1 2381/4885
US-20130129620-A1 Tricarbonyl Complexes with Tridentate Chelators for Myocardium Imaging TNNT2, TNNI3, FABP3 HPGD 3359/4885KMT2A 2725/4885ALDH1A1 3518/4885

“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.