SCHEMBL8869458

SCHEMBL8869458

O=c1c2ccc(O)c(I)c2oc2c(I)c(O)ccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP1A1 P05023 3/20 0.64
ATP1B1 P05026 3/20 0.64
ATP1A3 P13637 3/20 0.64
ATP1B2 P14415 3/20 0.64
ATP1A2 P50993 3/20 0.64
ATP1B3 P54709 3/20 0.64
FXYD2 P54710 3/20 0.64
ATP1A4 Q13733 3/20 0.64
NUDT1 P36639 1/20 0.64
ACE P12821 2/20 0.47
PTGS2 P35354 1/20 0.47
MAOA P21397 4/20 0.42
MET P08581 1/20 0.40
KDM4E B2RXH2 2/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
RECQL P46063 1/20 0.38
EGFR P00533 1/20 0.38

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
SCHEMBL1444851 0.78 ATP1A1 (1.00) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL30451609 0.78 ATP1A1 (1.00) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL15477703 0.75 ATP1A1 (0.64) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL15346134 0.75 ATP1A1 (0.64) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL15346147 0.75 ATP1A1 (0.64) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL23240704 0.75 ATP1A1 (0.64) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL9464086 0.74 MAOB (0.71) MAOAKDM4EGAAMAPTALOX15
SCHEMBL15676015 0.72 ERN1 (0.63) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL22787008 0.71 MAPT (0.55) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL30594908 0.71 PTGS2 (0.51) PTGS2MAOAKDM4EGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110664816-A SECA inhibitors and methods of making and using the same 佐治亚州立大学研究基金会公司 2020-01-10 CN disclosed
EP-3409666-A2 SECA INHIBITORS AND METHODS OF MAKING AND USING THEREOF Georgia State University Research Foundation, Inc. (US) 2018-12-05 EP disclosed
US-20180222880-A1 SecA INHIBITORS AND METHODS OF MAKING AND USING THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-08-09 US disclosed
US-20180222880-A1 SecA INHIBITORS AND METHODS OF MAKING AND USING THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-08-09 US disclosed
US-20180222880-A1 SecA INHIBITORS AND METHODS OF MAKING AND USING THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-08-09 US disclosed
US-9957247-B2 SecA inhibitors and methods of making and using thereof GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2018-05-01 US disclosed
US-9957247-B2 SecA inhibitors and methods of making and using thereof GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2018-05-01 US disclosed
US-9957247-B2 SecA inhibitors and methods of making and using thereof GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2018-05-01 US disclosed
EP-2861580-B1 SECA INHIBITORS AND METHODS OF MAKING AND USING THEREOF UNIV GEORGIA STATE RES FOUND (US) 2018-04-25 EP disclosed
EP-2861580-B1 SECA INHIBITORS AND METHODS OF MAKING AND USING THEREOF UNIV GEORGIA STATE RES FOUND (US) 2018-04-25 EP disclosed
US-20150152077-A1 SecA Inhibitors and Methods of Making and Using Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-06-04 US disclosed
US-20150152077-A1 SecA Inhibitors and Methods of Making and Using Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-06-04 US disclosed
US-20150152077-A1 SecA Inhibitors and Methods of Making and Using Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-06-04 US disclosed
US-5623080-A Fluorone and pyronin Y derivatives SPECTRA GROUP LIMITED, INC. (US) 1997-04-22 US disclosed
US-5451343-A Photoinitiators SPECTRA GROUP LIMITED, INC. (US) 1995-09-19 US disclosed
WO-1995014689-A1 FLUORONE AND PYRONIN Y DERIVATIVES SPECTRA GROUP LIMITED, INC. (US) 1995-06-01 WO disclosed
EP-0515133-A2 Fluorone and pyronin Y derivatives SPECTRA GROUP LIMITED INC (US) 1992-11-25 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 (2 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-20180222880-A1 SecA INHIBITORS AND METHODS OF MAKING AND USING THEREOF SEC61B, SEC61A1, SEC23A ATP1A1 2426/4885ATP1B1 2157/4885ATP1A3 2556/4885
US-20150152077-A1 SecA Inhibitors and Methods of Making and Using Thereof SEC61B, SEC61A1, SEC23A ATP1A1 2426/4885ATP1B1 2157/4885ATP1A3 2556/4885

“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.