SCHEMBL3042272

SCHEMBL3042272

O=[C]c1c2ccccc2nc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.64
ALDH1A1 P00352 4/20 0.64
GLA P06280 4/20 0.52
HPGD P15428 3/20 0.52
MAOA P21397 2/20 0.52
CASP1 P29466 2/20 0.52
CASP7 P55210 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HSD17B10 Q99714 2/20 0.52
CHRM2 P08172 1/20 0.52
ADRA2A P08913 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
CHRM1 P11229 1/20 0.52
NQO2 P16083 1/20 0.52
DRD1 P21728 1/20 0.52
ACHE P22303 1/20 0.52
SLC6A2 P23975 1/20 0.52
ADRA1A P35348 1/20 0.52
OPRM1 P35372 1/20 0.52
KCNH2 Q12809 1/20 0.52

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
SCHEMBL3717436 0.79 ERN1 (0.57) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL13075057 0.78 KDM4E (0.61) KDM4EALDH1A1GLAHPGDMAOA
SCHEMBL2001240 0.78 KDM4E (1.00) KDM4EALDH1A1GLAHPGDMAOA
SCHEMBL10996327 0.78 ALDH1A1 (0.38) KDM4EALDH1A1GLAHPGDMAOA
SCHEMBL2354362 0.76 BCHE (0.59) KDM4EALDH1A1HSD17B10CHRM2ADRA2A
SCHEMBL17423201 0.75 KDM4E (0.57) KDM4EALDH1A1GLAHPGDMAOA
SCHEMBL29628893 0.75 KDM4E (0.57) KDM4EALDH1A1GLAHPGDMAOA
SCHEMBL4894495 0.74 KDM4E (0.56) KDM4EALDH1A1GLAHPGDMAOA
SCHEMBL4580940 0.73 KDM4E (0.45) KDM4EALDH1A1GLAHPGDMAOA
SCHEMBL1502392 0.73 ALDH1A1 (0.62) KDM4EALDH1A1GLAHPGDMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070123469-A1 N- or C- terminally modified small peptides ZEALAND PHARMA A/S (DK) 2007-05-31 US claimed
WO-1997027179-A2 ANTIRETROVIRAL BASES NOVARTIS AG (CH) 1997-07-31 WO claimed
EP-0178790-B1 PROCESSES AND MATERIALS FOR CARRYING OUT SPECIFIC BINDING ASSAYS UNILEVER PLC (GB) 1991-09-18 EP claimed
EP-0178790-A1 Processes and materials for carrying out specific binding assays UNILEVER PLC (GB) 1986-04-23 EP claimed
WO-1986001899-A1 PROCESSES AND MATERIALS FOR CARRYING OUT SPECIFIC BINDING ASSAYS UNILEVER PLC (GB) 1986-03-27 WO claimed
US-7858349-B2 Anti-cancer compounds THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2010-12-28 US disclosed
WO-2010127381-A1 DIAGNOSIS, MONITORING, PROGNOSIS, PREVENTION AND TREATMENT OF ANEURYSMS JAMES COOK UNIVERSITY (AU) 2010-11-11 WO disclosed
US-7749969-B2 N- or C- terminally modified small peptides ZEALAND PHARMA A/S (DK) 2010-07-06 US disclosed
US-20090088454-A1 ANTI-CANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2009-04-02 US disclosed
US-7427496-B2 Anti-cancer compounds THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2008-09-23 US disclosed
US-20070123469-A1 N- or C- terminally modified small peptides ZEALAND PHARMA A/S (DK) 2007-05-31 US disclosed
WO-2007007060-A2 N- OR C- TERMINALLY MODIFIED SMALL PEPTIDES ZEALAND PHARMA A/S (DK) 2007-01-18 WO disclosed
US-20060183772-A1 To inhibit tumor growth in an animal; to induce apoptosis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-08-17 US disclosed
US-5763681-A ALPHA-2-ADAMANTYLIDENE-ALPHA-METHOXY-META-METHOXYTOLUENE AND RELATED COMPOUNDS AS INTERMEDIATES TROPIX, INC. (US) 1998-06-09 US disclosed
WO-1997027179-A2 ANTIRETROVIRAL BASES NOVARTIS AG (CH) 1997-07-31 WO disclosed
US-5225584-A Phosphonate esters and trialkylsilyl phosphonate esters TROPIX, INC. (US) 1993-07-06 US disclosed
EP-0178790-B1 PROCESSES AND MATERIALS FOR CARRYING OUT SPECIFIC BINDING ASSAYS UNILEVER PLC (GB) 1991-09-18 EP disclosed
EP-0178790-A1 Processes and materials for carrying out specific binding assays UNILEVER PLC (GB) 1986-04-23 EP disclosed
WO-1986001899-A1 PROCESSES AND MATERIALS FOR CARRYING OUT SPECIFIC BINDING ASSAYS UNILEVER PLC (GB) 1986-03-27 WO 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 (1 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-20070123469-A1 N- or C- terminally modified small peptides PTMS, CYP11A1, CYP3A4 KDM4E 2661/4885ALDH1A1 1790/4885GLA 2667/4885

“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.