SCHEMBL2604431

SCHEMBL2604431

NCCCNCC(O)CO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.46
CA2 P00918 3/20 0.46
CA4 P22748 3/20 0.46
CA6 P23280 3/20 0.46
CA5A P35218 3/20 0.46
CA7 P43166 3/20 0.46
CA9 Q16790 3/20 0.46
CA14 Q9ULX7 3/20 0.46
CA5B Q9Y2D0 3/20 0.46
CASP2 P42575 2/20 0.46
F13A1 P00488 2/20 0.46
CYP1A2 P05177 2/20 0.46
ALOX15 P16050 2/20 0.46
THPO P40225 2/20 0.46
MEN1 O00255 1/20 0.46
CYP2C19 P33261 1/20 0.46
RECQL P46063 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CA3 P07451 2/20 0.44

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
SCHEMBL11224669 0.96 CA12 (0.48) CA12CA2CA4CA6CA5A
SCHEMBL11408576 0.91 CA12 (0.46) CA12CA2CA4CA6CA5A
SCHEMBL1408867 0.91
SCHEMBL7762477 0.88 CA12 (0.52) CA12CA2CA4CA6CA5A
SCHEMBL11227502 0.86 CA12 (0.50) CA12CA2CA4CA6CA5A
SCHEMBL11374620 0.86 CA12 (0.50) CA12CA2CA4CA6CA5A
SCHEMBL3015969 0.84 CA12 (0.48) CA12CA2CA4CA6CA5A
SCHEMBL9816759 0.82 CASP2 (0.59) CA12CA2CA4CA6CA5A
SCHEMBL3424464 0.81 LMNA (0.38) CA12CA2CA9PKMCA1
Acetone SCHEMBL9233022 0.81 ANPEP (0.41) CA12CA2CA4CA6CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109642337-B Ternary zinc-nickel-iron alloy and alkaline electrolyte for electroplating such an alloy 科文特亚股份有限公司 2021-07-13 CN disclosed
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
WO-2009047319-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2009-04-16 WO disclosed
WO-2009047319-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2009-04-16 WO 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
US-20080242692-A1 Synthesis of Indenoisoquinoliniums and Methods of Use PURDUE RESEARCH FOUNDATION 2008-10-02 US disclosed
US-20080242692-A1 Synthesis of Indenoisoquinoliniums and Methods of Use PURDUE RESEARCH FOUNDATION 2008-10-02 US disclosed
WO-2007059008-A2 N-SUBSTITUTED INDENOISOQUINOLINES AND SYNTHESES THEREOF PURDUE RESEARCH FOUNDATION (US) 2007-05-24 WO disclosed
US-4189550-A HYDROXYALKYL AMINE COMPOUNDS AND SALTS DEUTSCHE GOLD- UND SILBER-SCHEINDEANSTALT VORMALS ROESSLER (DE) 1980-02-19 US disclosed
US-4083872-A ANTISTATIC AGENTS FOR THERMOPLASTIC SYNTHETIC RESINS DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) 1978-04-11 US disclosed
US-4070531-A DIHYDROXYPROPYLAMINE DERIVATIVES DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) 1978-01-24 US 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 CA12 4854/4885CA2 4570/4885CA4 3793/4885
US-20080242692-A1 Synthesis of Indenoisoquinoliniums and Methods of Use INMT, QTRT1, QTRT2 CA12 3981/4885CA2 1880/4885CA4 2007/4885
US-20160229888-A1 N-SUBSTITUTED INDENOISOQUINOLINES AND SYNTHESES THEREOF GNAQ, NRAS, NPM1 CA12 4854/4885CA2 4570/4885CA4 3793/4885

“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.