SCHEMBL529557

SCHEMBL529557

C[Si](C)(C)C#Cc1cncc([N+](=O)[O-])c1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.39
TSHR P16473 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 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
SCHEMBL22531723 0.79 GRM5 (0.38)
SCHEMBL1477526 0.78 ALDH1A1 (0.52) TSHRALDH1A1LMNAHTT
SCHEMBL27198413 0.78 VCAM1 (0.42) VCAM1TSHRALDH1A1LMNAHTT
SCHEMBL8490064 0.77 VCAM1 (0.41) VCAM1TSHRALDH1A1
SCHEMBL27088355 0.77 VCAM1 (0.41) VCAM1TSHRLMNAHTT
SCHEMBL29979560 0.77 VCAM1 (0.41) VCAM1TSHRLMNAHTT
SCHEMBL29980428 0.77 VCAM1 (0.41) VCAM1TSHRALDH1A1
SCHEMBL2455748 0.77 CASP3 (0.47) ALDH1A1LMNA
SCHEMBL11725842 0.76 VCAM1 (0.45) VCAM1TSHRALDH1A1LMNAHTT
SCHEMBL5252228 0.74 CYP19A1 (0.55) VCAM1TSHRALDH1A1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4582422-A1 METTL3 INHIBITOR COMPOUND, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF Global Health Drug Discovery Institute (CN) 2025-07-09 EP disclosed
US-20250214997-A1 METTL3 INHIBITOR COMPOUND, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF GLOBAL HEALTH DRUG DISCOVERY INSTITUTE (CN) 2025-07-03 US disclosed
WO-2024056099-A1 METTL3 INHIBITOR COMPOUND, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 北京华益健康药物研究中心 2024-03-21 WO disclosed
CN-117720533-A MetTL3 inhibitor compound and pharmaceutical composition and application thereof 北京华益健康药物研究中心 2024-03-19 CN disclosed
CN-103153063-B Quinoline derivatives and melk inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2016-02-17 CN disclosed
EP-2597955-B1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE INC (JP) 2016-01-20 EP disclosed
US-9120749-B2 Quinoline derivatives and MELK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2015-09-01 US disclosed
US-9120749-B2 Quinoline derivatives and MELK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2015-09-01 US disclosed
US-9120749-B2 Quinoline derivatives and MELK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2015-09-01 US disclosed
US-20130217671-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2013-08-22 US disclosed
US-20130217671-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2013-08-22 US disclosed
US-20130217671-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2013-08-22 US disclosed
CN-103153063-A Quinoline derivatives and MELK inhibitors containing the same ONCOTHERAPY SCIENCE INC 2013-06-12 CN disclosed
EP-2597955-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME OncoTherapy Science, Inc. (JP) 2013-06-05 EP disclosed
WO-2012016082-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2012-02-02 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-20130217671-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME MELK, NADK, NEK1 VCAM1 3769/4885TSHR 4101/4885ALDH1A1 2754/4885
US-20250214997-A1 METTL3 INHIBITOR COMPOUND, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF METTL3, METTL14, METTL16 VCAM1 3987/4885TSHR 3684/4885ALDH1A1 893/4885

“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.