SCHEMBL2190800

SCHEMBL2190800

CC(C)C[C@H](N)C1CC1CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 3/20 0.41
CYP3A4 P08684 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTR2C P28335 1/20 0.30

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
SCHEMBL13374068 0.88 SMYD2 (0.42) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL14877043 0.81 CYP3A4 (0.41) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL20531233 0.81 CYP3A4 (0.41) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL2193569 0.79 CYP3A4 (0.40) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL2191491 0.78 CYP3A4 (0.41) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL30440112 0.78 MEN1 (0.39) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL31058599 0.77 SMYD2 (0.43) SMYD2CYP3A4HTTSMN1; SMN2HTR2C
SCHEMBL22470033 0.76 SMYD2 (0.44) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL30439364 0.75 CTSK (0.45) CYP3A4
SCHEMBL31058601 0.74 SMYD2 (0.43) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230144767-A1 TARGETED NITROXIDE AGENTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2023-05-11 US disclosed
US-20200317730-A1 TARGETED NITROXIDE AGENTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-10-08 US disclosed
US-20190210969-A1 INTRAESOPHAGEAL ADMINISTRATION OF TARGETED NITROXIDE AGENTS FOR PROTECTION AGAINST IONIZING IRRADIATION-INDUCED ESOPHAGITIS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2019-07-11 US disclosed
US-20180298054-A1 TARGETED NITROXIDE AGENTS University of Pittsburgh - of the Commonwealth Sys tem of Higher Education (US) 2018-10-18 US disclosed
US-9216976-B2 Targeted nitroxide agents University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2015-12-22 US disclosed
EP-2328875-B1 TARGETED NITROXIDE AGENTS UNIV PITTSBURGH (US) 2014-10-15 EP disclosed
US-8822541-B2 Use of targeted nitroxide agents in mitigating or treating radiation injury University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2014-09-02 US disclosed
US-8609850-B2 Targeted nitroxide agents University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2013-12-17 US disclosed
US-20130102626-A1 TARGETED NITROXIDE AGENTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2013-04-25 US disclosed
US-8288551-B2 Targeted nitroxide agents UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2012-10-16 US disclosed
US-20110172214-A1 USE OF TARGETED NITROXIDE AGENTS IN PREVENTING, MITIGATING AND TREATING RADIATION INJURY UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2011-07-14 US disclosed
US-20100035869-A1 TARGETED NITROXIDE AGENTS PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION, UNIVERSITY OF 2010-02-11 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 (7 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-20110172214-A1 USE OF TARGETED NITROXIDE AGENTS IN PREVENTING, MITIGATING AND TREATING RADIATION INJURY TXNRD2, TXN2, HSPE1 SMYD2 3121/4885CYP3A4 2111/4885HTT 2621/4885
US-20190210969-A1 INTRAESOPHAGEAL ADMINISTRATION OF TARGETED NITROXIDE AGENTS FOR PROTECTION AGAINST IONIZING IRRADIATION-INDUCED ESOPHAGITIS HSPE1, HSPA9, HSPD1 SMYD2 4125/4885CYP3A4 1981/4885HTT 3793/4885
US-20180298054-A1 TARGETED NITROXIDE AGENTS TXNRD2, TXN2, HSPE1 SMYD2 2528/4885CYP3A4 1585/4885HTT 1855/4885
US-20200317730-A1 TARGETED NITROXIDE AGENTS TXNRD2, TXN2, HSPE1 SMYD2 2528/4885CYP3A4 1585/4885HTT 1855/4885
US-20100035869-A1 TARGETED NITROXIDE AGENTS TXNRD2, TXN2, HSPE1 SMYD2 2528/4885CYP3A4 1585/4885HTT 1855/4885
US-20230144767-A1 TARGETED NITROXIDE AGENTS TXNRD2, TXN2, HSPE1 SMYD2 2528/4885CYP3A4 1585/4885HTT 1855/4885
US-20130102626-A1 TARGETED NITROXIDE AGENTS TXNRD2, TXN2, HSPE1 SMYD2 2528/4885CYP3A4 1585/4885HTT 1855/4885

“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.