SCHEMBL4337323

SCHEMBL4337323

C[C@@H](CBr)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 2/20 0.35
CYP3A4 P08684 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL1646323 1.00 SMYD2 (0.35) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL4337327 1.00 SMYD2 (0.35) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL29235782 0.88 SMYD2 (0.34) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL29235783 0.88 SMYD2 (0.34) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL9841198 0.86 SMYD2 (0.39) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL9007744 0.85 SMYD2 (0.36) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL13134295 0.85 SMYD2 (0.36) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL31382508 0.85 CYP3A4 (0.37) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL5030605 0.84 TRPA1 (0.39) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL5026308 0.84 SMYD2 (0.35) SMYD2CYP3A4HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4003988-B1 3,6-DIAMINO-PYRIDAZIN-3-YL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS PRO-APOPTOTIC AGENTS SERVIER LAB (FR) 2026-05-20 EP disclosed
CN-114450283-B 3, 6-Diamino-pyridazin-3-yl derivatives, pharmaceutical compositions containing them and their use as pro-apoptotic agents 法国施维雅药厂 2024-05-07 CN disclosed
US-20240139185-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2024-05-02 US disclosed
US-20220289734-A1 3,6-DIAMINO-PYRIDAZIN-3-YL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS PRO-APOPTOTIC AGENTS LES LABORATOIRES SERVIER (FR) 2022-09-15 US disclosed
EP-4003988-A1 3,6-DIAMINO-PYRIDAZIN-3-YL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS PRO-APOPTOTIC AGENTS Les Laboratoires Servier (FR) 2022-06-01 EP disclosed
WO-2021018857-A1 3,6-DIAMINO-PYRIDAZIN-3-YL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS PRO-APOPTOTIC AGENTS LES LABORATOIRES SERVIER (FR) 2021-02-04 WO disclosed
US-20200197391-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. 2020-06-25 US disclosed
US-8729095-B2 3-(biaryloxy)propionic acid derivatives for prevention and/or treatment of thromboembolic diseases DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-05-20 US disclosed
US-20120245152-A1 3-(BIARYOXY)PROPIONIC ACID DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-09-27 US disclosed
EP-2471792-A1 3-(BIARYLOXY) PROPIONIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2012-07-04 EP disclosed
US-7618960-B2 Morpholine type cinnamide compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-11-17 US disclosed
EP-1953154-A1 MORPHOLINE TYPE CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2008-08-06 EP disclosed
US-20070117798-A1 Morpholine type cinnamide compound EISAI R&D MANAGEMENT CO., LTD. 2007-05-24 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 (5 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-20240139185-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF KRAS, NRAS, HRAS SMYD2 4159/4885CYP3A4 3890/4885HTT 3076/4885
US-20120245152-A1 3-(BIARYOXY)PROPIONIC ACID DERIVATIVE F11, PF4, F2 SMYD2 4767/4885CYP3A4 697/4885HTT 3604/4885
US-20070117798-A1 Morpholine type cinnamide compound MLX, XDH, NOX4 SMYD2 3033/4885CYP3A4 56/4885HTT 4326/4885
US-20200197391-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF KRAS, NRAS, HRAS SMYD2 4159/4885CYP3A4 3890/4885HTT 3076/4885
US-20220289734-A1 3,6-DIAMINO-PYRIDAZIN-3-YL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS PRO-APOPTOTIC AGENTS CASP3, BAX, CASP2 SMYD2 4520/4885CYP3A4 1073/4885HTT 1935/4885

“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.