SCHEMBL2604432

SCHEMBL2604432

CCN(C)CCCNCCCN

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.65
CA12 O43570 5/20 0.50
CA6 P23280 5/20 0.50
CA7 P43166 5/20 0.50
CA9 Q16790 5/20 0.50
CA14 Q9ULX7 5/20 0.50
CA5B Q9Y2D0 5/20 0.50
CA2 P00918 4/20 0.50
CA4 P22748 4/20 0.50
CA5A P35218 4/20 0.50
ALOX15 P16050 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CASP2 P42575 2/20 0.50
F13A1 P00488 2/20 0.50
CYP1A2 P05177 2/20 0.50
THPO P40225 2/20 0.50
CYP2C19 P33261 2/20 0.50
RECQL P46063 2/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL24475227 0.98 TDP1 (0.63) TDP1CA12CA6CA7CA9
SCHEMBL27410216 0.92 TDP1 (0.55) TDP1CA12CA6CA7CA9
SCHEMBL15569541 0.86 TDP1 (0.71) TDP1CA12CA6CA7CA9
SCHEMBL8403861 0.82 CYP2C19 (0.62) TDP1CA12CA6CA7CA9
SCHEMBL4454481 0.82 TDP1 (0.59) TDP1CA12CA6CA7CA9
SCHEMBL18263760 0.81 TDP1 (0.62) TDP1CA12CA6CA7CA9
SCHEMBL2426477 0.81
SCHEMBL10939090 0.81 TDP1 (0.57) TDP1CA12CA6CA7CA9
SCHEMBL19966296 0.80 TDP1 (0.40) TDP1ALOX15MEN1KMT2ACYP1A2
SCHEMBL323710 0.80 TDP1 (0.61) TDP1CA12CA6CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796753-B2 N-substituted indenoisoquinolines and syntheses thereof PURDUE RESEARCH FOUNDATION (US) 2017-10-24 US disclosed
US-9796753-B2 N-substituted indenoisoquinolines and syntheses thereof PURDUE RESEARCH FOUNDATION (US) 2017-10-24 US disclosed
EP-3112349-A2 A PROCESS FOR PREPARING N-SUBSTITUTED INDENOISOQUINOLINES Purdue Research Foundation (US) 2017-01-04 EP disclosed
US-20160229888-A1 N-SUBSTITUTED INDENOISOQUINOLINES AND SYNTHESES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-08-11 US disclosed
US-20160229888-A1 N-SUBSTITUTED INDENOISOQUINOLINES AND SYNTHESES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-08-11 US disclosed
US-9399660-B2 N-substituted indenoisoquinolines and syntheses thereof PURDUE RESEARCH FOUNDATION (US) 2016-07-26 US disclosed
US-9399660-B2 N-substituted indenoisoquinolines and syntheses thereof PURDUE RESEARCH FOUNDATION (US) 2016-07-26 US disclosed
EP-1960366-B1 N-SUBSTITUTED INDENOISOQUINOLINES AND SYNTHESES THEREOF PURDUE RESEARCH FOUNDATION (US) 2016-07-20 EP disclosed
US-9388211-B2 N-substituted indenoisoquinolines and syntheses thereof PURDUE RESEARCH FOUNDATION (US) 2016-07-12 US disclosed
US-9388211-B2 N-substituted indenoisoquinolines and syntheses thereof PURDUE RESEARCH FOUNDATION (US) 2016-07-12 US disclosed
US-8829022-B2 N-substituted indenoisoquinolines and syntheses thereof PURDUE RESEARCH FOUNDATION (US) 2014-09-09 US disclosed
US-20120101119-A1 N-substituted indenoisoquinolines and syntheses thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-04-26 US disclosed
US-20120101119-A1 N-substituted indenoisoquinolines and syntheses thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-04-26 US disclosed
US-8053443-B2 N-substituted indenoisoquinolines and syntheses thereof PURDUE RESEARCH FOUNDATION (US) 2011-11-08 US disclosed
US-8053443-B2 N-substituted indenoisoquinolines and syntheses thereof PURDUE RESEARCH FOUNDATION (US) 2011-11-08 US disclosed
US-20080318995-A1 N-Substituted Indenoisoquinolines and Syntheses Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-12-25 US disclosed
US-20080318995-A1 N-Substituted Indenoisoquinolines and Syntheses Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-12-25 US disclosed
EP-0166015-B1 FLUORCARBON ANION EXCHANGERS AND PROCESSES FOR THEIR PREPARATION Tosoh Corporation (JP) 1988-12-28 EP disclosed
US-4659744-A CATIONIC POLYMER CONTAINING SULFONAMIDE GROUPS AND QUATERNARY AMMONIUM SALTS TOYO SODA MANUFACTURING CO., LTD. (JP) 1987-04-21 US disclosed
EP-0166015-A1 Fluorcarbon anion exchangers and processes for their preparation Tosoh Corporation (JP) 1986-01-02 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-20080318995-A1 N-Substituted Indenoisoquinolines and Syntheses Thereof GNAQ, NRAS, NPM1 TDP1 1868/4885CA12 4854/4885CA6 4377/4885
US-20120101119-A1 N-substituted indenoisoquinolines and syntheses thereof GNAQ, NRAS, NPM1 TDP1 1868/4885CA12 4854/4885CA6 4377/4885
US-20160229888-A1 N-SUBSTITUTED INDENOISOQUINOLINES AND SYNTHESES THEREOF GNAQ, NRAS, NPM1 TDP1 1868/4885CA12 4854/4885CA6 4377/4885

“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.