SCHEMBL529077

SCHEMBL529077

NCCCCCC(N)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.46
HRH1 P35367 2/20 0.42
HTR2A P28223 1/20 0.42
SLC7A5 Q01650 6/20 0.42
MAOA P21397 1/20 0.39
CPB2 Q96IY4 2/20 0.38
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 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
SCHEMBL27914480 1.00 KIF11 (0.46) KIF11HRH1HTR2ASLC7A5MAOA
SCHEMBL2390381 0.92 HRH1 (0.50) KIF11HRH1HTR2AMAOA
Acetic Acid SCHEMBL30066547 0.91 CPB2 (0.41) KIF11CPB2DPP8DPP9DPP7
SCHEMBL1040140 0.87 KIF11 (0.57) KIF11SLC7A5
SCHEMBL3475085 0.87 KIF11 (0.57) KIF11SLC7A5
SCHEMBL569409 0.84 HRH1 (0.46) KIF11HRH1HTR2A
SCHEMBL28089585 0.84 KDM4E (0.39) KIF11
SCHEMBL7993168 0.81 CSNK1E (0.45) KIF11HTR2A
SCHEMBL7761544 0.81 KIF11 (0.46) KIF11HRH1HTR2ASLC7A5MAOA
SCHEMBL29788858 0.79 KIF11 (0.41) KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8975232-B2 Macrocyclic kinase inhibitors and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-03-10 US disclosed
US-20130178429-A1 MACROCYCLIC KINASE INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-07-11 US disclosed
US-20120244079-A1 TRACEABLE RETINOID ACID FOR IMAGING, DISEASE PREVENTION AND THERAPY BAYLOR COLLEGE OF MEDICINE (US) 2012-09-27 US disclosed
WO-2012016186-A1 MACROCYCLIC KINASE INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-02-02 WO disclosed
WO-2011011105-A2 TRACEABLE RETINOID ACID FOR IMAGING, DISEASE PREVENTION AND THERAPY BAYLOR COLLEGE OF MEDICINE (US) 2011-01-27 WO disclosed
EP-1996217-B1 NOVEL ANTIBIOTIC COMPOSITIONS CAMBRIDGE ENTPR LTD (GB) 2010-11-10 EP disclosed
US-20100041613-A1 NOVEL ANTIBIOTIC COMPOSITIONS CAMBRIDGE ENTERPRISE LTD. (GB) 2010-02-18 US disclosed
EP-1996217-A4 NOVEL ANTIBIOTIC COMPOSITIONS INFLAZYME PHARM LTD (CA) 2009-08-12 EP disclosed
EP-1691845-A4 COMPOUNDS CONTAINING MATRIX METALLOPROTEINASE SUBSTRATES AND METHODS OF THEIR USE BRISTOL MYERS SQUIBB PHARMA CO (US) 2009-02-25 EP disclosed
EP-1996217-A2 NOVEL ANTIBIOTIC COMPOSITIONS Inflazyme Pharmaceuticals, Ltd. (CA) 2008-12-03 EP disclosed
WO-2007103548-A2 NOVEL ANTIBIOTIC COMPOSITIONS INFLAZYME PHARMACEUTICALS LTD. (CA) 2007-09-13 WO disclosed
US-20070105759-A1 Melanocortin receptor 4 (mc4) agonists and their uses ELI LILLY AND COMPANY (US) 2007-05-10 US disclosed
EP-1691845-A1 COMPOUNDS CONTAINING MATRIX METALLOPROTEINASE SUBSTRATES AND METHODS OF THEIR USE Bristol-Myers Squibb Pharma Company (US) 2006-08-23 EP disclosed
EP-1644023-A2 MELANOCORTIN RECPTOR 4(MC4) AGONISTS AND THEIR USES ELI LILLY AND COMPANY (US) 2006-04-12 EP disclosed
US-20050106100-A1 Compounds containing matrix metalloproteinase substrates and methods of their use LANTHEUS MEDICAL IMAGING, INC. 2005-05-19 US disclosed
WO-2005023314-A1 COMPOUNDS CONTAINING MATRIX METALLOPROTEINASE SUBSTRATES AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-03-17 WO disclosed
WO-2005000339-A2 MELANOCORTIN RECEPTOR 4(MC4) AGONISTS AND THEIR USES ELI LILLY AND COMPANY (US) 2005-01-06 WO disclosed
WO-1999004895-A1 COMPOSITIONS FOR THE STORAGE AND DELIVERY OF SOLID PHASE REACTIVE PARTICLES AND METHODS OF USING THE SAME ARGONAUT TECHNOLOGIES, INC. (US) 1999-02-04 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 (5 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-20070105759-A1 Melanocortin receptor 4 (mc4) agonists and their uses MC4R, MC3R, MC1R KIF11 3801/4885HRH1 1313/4885HTR2A 222/4885
US-20100041613-A1 NOVEL ANTIBIOTIC COMPOSITIONS MRPL21, NRDC, OTUB1 KIF11 1315/4885HRH1 3311/4885HTR2A 4800/4885
US-20130178429-A1 MACROCYCLIC KINASE INHIBITORS AND USES THEREOF MAP3K20, MAP3K11, MAP3K1 KIF11 1094/4885HRH1 669/4885HTR2A 3378/4885
US-20120244079-A1 TRACEABLE RETINOID ACID FOR IMAGING, DISEASE PREVENTION AND THERAPY STRA6, RARA, RXRA KIF11 2826/4885HRH1 3179/4885HTR2A 4061/4885
US-20050106100-A1 Compounds containing matrix metalloproteinase substrates and methods of their use MMP1, MMP10, MMP8 KIF11 3735/4885HRH1 2754/4885HTR2A 3469/4885

“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.