SCHEMBL2848608

SCHEMBL2848608

C[Si](C)(C)n1ccnc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
CA12 O43570 4/20 0.40
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA9 Q16790 4/20 0.40
LMNA P02545 2/20 0.39
THRB P10828 2/20 0.39
CYP2C19 P33261 1/20 0.39
TYMP P19971 3/20 0.38
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
OPRK1 P41145 1/20 0.35
NOS1 P29475 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 3/20 0.31
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL1979557 0.75
Methyl Alcohol SCHEMBL27771562 0.72 KMT2A (0.44) KMT2ACA12CA1CA2CA9
Bromomethane SCHEMBL21803200 0.72 CA12 (0.43) KMT2ACA12CA1CA2CA9
SCHEMBL9005174 0.72 CA12 (0.40) KMT2ACA12CA1CA2CA9
SCHEMBL6131634 0.71
SCHEMBL4262422 0.71
SCHEMBL17635577 0.71
SCHEMBL6236180 0.71
SCHEMBL3955047 0.71
SCHEMBL196953 0.71 CA12 (0.41) KMT2ACA12CA1CA2CA9

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11400076-B2 Cancer stem cell inhibitor KEIO UNIVERSITY (JP) 2022-08-02 US disclosed
US-20200316027-A1 CANCER STEM CELL INHIBITOR KEIO UNIVERSITY (JP) 2020-10-08 US disclosed
EP-3692990-A1 CANCER STEM CELL INHIBITOR Keio University (JP) 2020-08-12 EP disclosed
CN-111182897-A Cancer stem cell inhibitors 学校法人庆应义塾 2020-05-19 CN disclosed
EP-2116241-B1 PHARMACEUTICAL COMPOSITION POLA PHARMA INC (JP) 2016-04-27 EP disclosed
EP-2156832-B1 PHARMACEUTICAL COMPOSITION POLA PHARMA INC (JP) 2014-06-25 EP disclosed
CN-101642452-B Radiation sensitizer used for brain tumor POLA PHARMA INC JP 2014-05-28 CN disclosed
US-8541459-B2 Pharmaceutical composition POLA PHARMA INC. (JP) 2013-09-24 US disclosed
US-8450356-B2 Pharmaceutical composition POLA PHARMA INC. (JP) 2013-05-28 US disclosed
CN-101621997-B Pharmaceutical composition POLA PHARMA INC 2013-05-08 CN disclosed
US-20120130148-A1 PHARMACEUTICAL COMPOSITION POLA PHARMA INC. (JP) 2012-05-24 US disclosed
CN-101541324-B Pharmaceutical composition POLA PHARMA INC 2011-06-15 CN disclosed
US-20100130576-A1 PHARMACEUTICAL COMPOSITION POLA PHARMA INC. (JP) 2010-05-27 US disclosed
US-20100076042-A1 PHARMACEUTICAL COMPOSITION POLA PHARMA INC. (JP) 2010-03-25 US disclosed
EP-2156832-A1 PHARMACEUTICAL COMPOSITION Pola Pharma Inc. (JP) 2010-02-24 EP disclosed
CN-101642452-A Radiation sensitizer used for brain tumor POLA PHARMA INC JP 2010-02-10 CN disclosed
CN-101621997-A Pharmaceutical composition POLA PHARMA INC 2010-01-06 CN disclosed
EP-2116241-A1 PHARMACEUTICAL COMPOSITION Pola Pharma Inc. (JP) 2009-11-11 EP disclosed
CN-101541324-A Pharmaceutical composition POLA PHARMA INC (JP) 2009-09-23 CN disclosed
US-4462992-A ANTITUMOR AND ANTICARCINOGENIC AGENTS RESEARCH CORPORATION (US) 1984-07-31 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 (4 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-20100076042-A1 PHARMACEUTICAL COMPOSITION MT-ND1, CYP2C19, KDM1A KMT2A 700/4885CA12 3390/4885CA1 3169/4885
US-20100130576-A1 PHARMACEUTICAL COMPOSITION CYP2C19, CYP2C18, CYP2D6 KMT2A 3622/4885CA12 2996/4885CA1 4210/4885
US-11400076-B2 Cancer stem cell inhibitor TFAM, COX4I1, MT-ND2 KMT2A 557/4885CA12 3713/4885CA1 3541/4885
US-20200316027-A1 CANCER STEM CELL INHIBITOR TFAM, COX4I1, MT-ND2 KMT2A 557/4885CA12 3713/4885CA1 3541/4885

“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.