SCHEMBL2601877

SCHEMBL2601877

O=C(C[n+]1ccccc1)c1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
NAPRT Q6XQN6 1/20 0.53
P4HTM Q9NXG6 1/20 0.53
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 2/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.47
CTNNB1 P35222 4/20 0.46
WNT3A P56704 3/20 0.46
GRM4 Q14833 1/20 0.46
PABPC1 P11940 1/20 0.46
HSP90AA1 P07900 1/20 0.45
GSK3B P49841 1/20 0.43
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42

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
Iodide SCHEMBL1930231 0.98 LMNA (0.52) LMNAL3MBTL1NAPRTP4HTMKMT2A
Iodide SCHEMBL31327468 0.98 LMNA (0.52) LMNAL3MBTL1NAPRTP4HTMKMT2A
Bromide SCHEMBL7770547 0.98 KMT2A (0.53) LMNAL3MBTL1NAPRTP4HTMKMT2A
Bromide SCHEMBL5899856 0.98 LMNA (0.52) LMNAL3MBTL1NAPRTP4HTMKMT2A
Bromide SCHEMBL5900356 0.97 KMT2A (0.51) LMNAL3MBTL1NAPRTP4HTMKMT2A
Iodide SCHEMBL5956032 0.79 PABPC1 (0.53) LMNAL3MBTL1KMT2AKDM4EMEN1
Bromide SCHEMBL3894863 0.76 KMT2A (0.53) LMNAL3MBTL1NAPRTP4HTMKMT2A
Hydrochloric Acid SCHEMBL2527501 0.76 KMT2A (0.73) LMNAKMT2AKDM4ECES1MEN1
SCHEMBL253276 0.75 CES2 (0.64) LMNAL3MBTL1NAPRTP4HTMKMT2A
SCHEMBL2470002 0.75 CTNNB1 (0.71) LMNAL3MBTL1NAPRTP4HTMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023092612-A1 TWO-DIMENSIONAL COORDINATION POLYMER BASED ON ISOCYANO COORDINATION 上海交通大学 2023-06-01 WO disclosed
US-20230159710-A1 Two-Dimensional Coordination Polymer Based On Isocyano Coordination SHANGHAI JIAO TONG UNIVERSITY (CN) 2023-05-25 US disclosed
US-20120100628-A1 EMISSIVE AND BROADBAND NONLINEAR ABSORBING METAL COMPLEXES AND LIGANDS AS OLED, OPTICAL SWITCHING OR OPTICAL SENSING MATERIALS NDSU RESEARCH FOUNDATION (US) 2012-04-26 US disclosed
EP-2275409-A1 Bipiridine derivative and organic electroluminescence element containing the same Yamagata Promotional Organization for Industrial Technology (JP) 2011-01-19 EP disclosed
US-20100327265-A1 BIPIRIDINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT CONTAINING THE SAME YAMAGATA PROMOTIONAL ORGANIZATION FOR INDUSTRIAL TECHNOLOGY (JP) 2010-12-30 US disclosed
US-7465747-B2 Fluorescent label compounds Matsumoto, Kazuko (JP) 2008-12-16 US disclosed
EP-1056771-B1 STREPTOGRAMIN DERIVATIVES, PREPARATION METHOD AND COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2005-11-30 EP disclosed
EP-1056771-A1 STREPTOGRAMIN DERIVATIVES, PREPARATION METHOD AND COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 2000-12-06 EP disclosed
WO-1999043699-A1 STREPTOGRAMIN DERIVATIVES, PREPARATION METHOD AND COMPOSITIONS CONTAINING SAME AVENTIS PHARMA S.A. (FR) 1999-09-02 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 (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-20120100628-A1 EMISSIVE AND BROADBAND NONLINEAR ABSORBING METAL COMPLEXES AND LIGANDS AS OLED, OPTICAL SWITCHING OR OPTICAL SENSING MATERIALS OCIAD2, OCIAD1, NONO LMNA 4358/4885L3MBTL1 1175/4885NAPRT 552/4885
US-20100327265-A1 BIPIRIDINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT CONTAINING THE SAME NFE2L2, SLC19A2, AOC2 LMNA 3042/4885L3MBTL1 3143/4885NAPRT 4157/4885

“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.