SCHEMBL1306754

SCHEMBL1306754

CCN(CC)CCCNC=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 3/20 0.56
ADH1A P07327 3/20 0.56
ADH7 P40394 3/20 0.56
ADH1C P00326 2/20 0.56
EPHX1 P07099 1/20 0.54
ADH4 P08319 1/20 0.54
PAOX Q6QHF9 1/20 0.52
ALDH1A1 P00352 3/20 0.46
GAA P10253 2/20 0.37
NPSR1 Q6W5P4 1/20 0.36
USP2 O75604 1/20 0.36
CHRM2 P08172 1/20 0.35
APAF1 O14727 1/20 0.35
NPC1 O15118 1/20 0.35
MITF O75030 1/20 0.35
NSD2 O96028 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 1/20 0.34
CACNA2D1 P54289 1/20 0.33

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
Hydrochloric Acid SCHEMBL4801739 0.98 ADH1B (0.54) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL3317326 0.88 ADH1B (0.48) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL2170369 0.86 ADH1A (0.67) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL93173 0.86 ADH1B (0.52) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL5259260 0.84 ADH1B (0.67) ADH1BADH1AADH7ADH1CEPHX1
Hydrochloric Acid SCHEMBL4811854 0.84 ADH1B (0.50) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL3314754 0.83 ADH1B (0.44) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL16995410 0.83 PAOX (0.46) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL16995384 0.83 PAOX (0.50) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL22781575 0.82 ADH1A (0.50) ADH1BADH1AADH7ADH1CEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8053457-B2 3-imidazolyl-indoles for the treatment of proliferative diseases NOVARTIS AG (CH) 2011-11-08 US claimed
EP-2215085-B1 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-09-07 EP claimed
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-07 US claimed
EP-2215085-A2 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2010-08-11 EP claimed
US-20100125064-A1 3-Imidazolyl-Indoles for the Treatment of Proliferative Diseases NOVARTIS AG (CH) 2010-05-20 US claimed
WO-2010014798-A2 PYRIMIDOTRIAZINEDIONES AND PYRIMIDOPYRIMIDINEDIONES AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-02-04 WO claimed
EP-2142535-A2 3-IMIDAZOLYL-INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES Novartis Ag (CH) 2010-01-13 EP claimed
US-20090118305-A1 PYRIDINE AND PYRAZINE DERIVATIVES - 083 ASTRAZENECA AB (SE) 2009-05-07 US claimed
WO-2009053737-A2 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2009-04-30 WO claimed
WO-2008119741-A2 3-IMIDAZOLYL-INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2008-10-09 WO claimed
US-20040229930-A1 Formulations comprising a basic indolinone compound PHARMACIA ITALIA S.P.A. 2004-11-18 US claimed
EP-1427326-A2 COMBINATION THERAPY FOR THE TREATMENT OF CANCER Sugen, Inc. (US) 2004-06-16 EP claimed
US-20040063773-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN, INC. & PHARMACIA & UPJOHN CO. 2004-04-01 US claimed
US-20030216410-A1 Combination therapy for the treatment of cancer PHARMACIA CORPORATION 2003-11-20 US claimed
US-6573293-B2 Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN, INC. 2003-06-03 US claimed
WO-2003015608-A2 COMBINATION THERAPY FOR THE TREATMENT OF CANCER SUGEN, INC. (US) 2003-02-27 WO claimed
EP-1255752-A2 PYRROLE SUBSTITUTED 2-INDOLINONE PROTEIN KINASE INHIBITORS Sugen, Inc. (US) 2002-11-13 EP claimed
US-20020156292-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors PHARMACIA & UPJOHN COMPANY LLC 2002-10-24 US claimed
WO-2001060814-A2 PYRROLE SUBSTITUTED 2-INDOLINONE PROTEIN KINASE INHIBITORS SUGEN, INC. (US) 2001-08-23 WO claimed
EP-0517262-A1 Trifluorothymidine derivatives, process for producing the same and anti-cancer agent containing the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-12-09 EP 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 (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-20030216410-A1 Combination therapy for the treatment of cancer PTGS2, PTGES2, PTGFR ADH1B 1243/4885ADH1A 2177/4885ADH7 2273/4885
US-20100125064-A1 3-Imidazolyl-Indoles for the Treatment of Proliferative Diseases MDM4, TP53, MDM2 ADH1B 2172/4885ADH1A 2338/4885ADH7 2359/4885
US-20040229930-A1 Formulations comprising a basic indolinone compound PDPK1, HASPIN, IP6K1 ADH1B 1364/4885ADH1A 1288/4885ADH7 1195/4885
US-20040063773-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors PDPK1, MAP3K20, PLK2 ADH1B 3540/4885ADH1A 2118/4885ADH7 3287/4885
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same DPYD, TYMP, DHFR ADH1B 140/4885ADH1A 1554/4885ADH7 102/4885
US-20090118305-A1 PYRIDINE AND PYRAZINE DERIVATIVES - 083 MKI67, CCND3, CCND1 ADH1B 826/4885ADH1A 677/4885ADH7 728/4885
US-20020156292-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors PDPK1, MAP3K20, PLK2 ADH1B 3540/4885ADH1A 2118/4885ADH7 3287/4885

“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.