SCHEMBL708436

SCHEMBL708436

NCCCCC(N)CCN

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.44
NFKB1 P19838 1/20 0.44
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA3 P07451 2/20 0.41
CA4 P22748 2/20 0.41
CA6 P23280 2/20 0.41
CA5A P35218 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
CA5B Q9Y2D0 2/20 0.41
DNM1 Q05193 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
BLM P54132 1/20 0.41
RNPEP Q9H4A4 1/20 0.37
ENPEP Q07075 1/20 0.33
CPB2 Q96IY4 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
SCHEMBL3164648 0.97 DNM1 (0.47) GSRNFKB1CA12CA1CA2
SCHEMBL10884825 0.97 DNM1 (0.47) GSRNFKB1CA12CA1CA2
SCHEMBL584899 0.97 DNM1 (0.47) GSRNFKB1CA12CA1CA2
SCHEMBL6339082 0.94 DNM1 (0.44) GSRNFKB1CA12CA1CA2
SCHEMBL3487034 0.94 ENPEP (0.36) GSRNFKB1ENPEPALDH1A1
SCHEMBL350694 0.94 NFKB1 (0.50) GSRNFKB1CA12CA1CA2
SCHEMBL351414 0.90 NFKB1 (0.47) GSRNFKB1CA12CA1CA2
SCHEMBL20597340 0.90 DNM1 (0.53) GSRNFKB1CA12CA1CA2
SCHEMBL350445 0.90 DNM1 (0.53) GSRNFKB1CA12CA1CA2
SCHEMBL163475 0.90

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004342-A1 LFA-1 Inhibitors and Use Thereof SODA KUNIYASU 2010-01-07 US claimed
US-20060281820-A1 Lfa-1 inhibitors and use thereof SODA KUNIYASU 2006-12-14 US claimed
EP-4605121-A1 DELIVERY PARTICLES BASED ON AMINE-THIOL-ENE CONJUGATES AND DERIVATIVES Encapsys, LLC (US) 2025-08-27 EP disclosed
WO-2024086501-A9 DELIVERY PARTICLES BASED ON AMINE-THIOL-ENE CONJUGATES AND DERIVATIVES ENCAPSYS, LLC (US) 2024-12-26 WO disclosed
WO-2024086501-A1 DELIVERY PARTICLES BASED ON AMINE-THIOL-ENE CONJUGATES AND DERIVATIVES ENCAPSYS, LLC (US) 2024-04-25 WO disclosed
CN-111108235-B Electrolytic copper plating bath 株式会社杰希优 2022-05-03 CN disclosed
CN-111108235-A Electrolytic copper plating bath 株式会社杰希优 2020-05-05 CN 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-9399660-B2 N-substituted indenoisoquinolines and syntheses thereof PURDUE RESEARCH FOUNDATION (US) 2016-07-26 US disclosed
WO-2009093454-A1 FOOD COMPOSITION, FEED COMPOSITION COMPRISING THE FOOD COMPOSITION, AND METHOD FOR FEEDING ANIMAL BY USING THE FEED COMPOSITION JICHI MEDICAL UNIVERSITY (JP) 2009-07-30 WO disclosed
US-20090053142-A1 CONTRAST AGENTS WYNN DUNCAN 2009-02-26 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-1989179-A1 CONTRAST AGENTS GE Healthcare AS (NO) 2008-11-12 EP disclosed
EP-1960366-A2 N-SUBSTITUTED INDENOISOQUINOLINES AND SYNTHESES THEREOF Purdue Research Foundation (US) 2008-08-27 EP disclosed
WO-2007094683-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2007-08-23 WO disclosed
WO-2007059008-A2 N-SUBSTITUTED INDENOISOQUINOLINES AND SYNTHESES THEREOF PURDUE RESEARCH FOUNDATION (US) 2007-05-24 WO disclosed
US-20060281820-A1 Lfa-1 inhibitors and use thereof SODA KUNIYASU 2006-12-14 US disclosed
US-4009208-A N,N'-HEPTAMETHYLENEBIS(4-METHOXYBENZAMIDE) STERLING DRUG INC. (US) 1977-02-22 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-20090053142-A1 CONTRAST AGENTS IPO4, TPO, IPO11 GSR 4535/4885NFKB1 1447/4885CA12 539/4885
US-20080318995-A1 N-Substituted Indenoisoquinolines and Syntheses Thereof GNAQ, NRAS, NPM1 GSR 2306/4885NFKB1 980/4885CA12 4854/4885
US-20160229888-A1 N-SUBSTITUTED INDENOISOQUINOLINES AND SYNTHESES THEREOF GNAQ, NRAS, NPM1 GSR 2306/4885NFKB1 980/4885CA12 4854/4885

“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.