SCHEMBL21296485

SCHEMBL21296485

COC(=O)c1c([N+](=O)[O-])cnn1COCC[Si](C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
PKM P14618 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.35

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
SCHEMBL21296472 0.90 ALDH1A1 (0.45) SMN1; SMN2PKMMEN1KMT2AKDM4E
SCHEMBL30079470 0.89 SMN1; SMN2 (0.40) GAASMN1; SMN2TDP1PKMCYP3A4
SCHEMBL4021391 0.89 SMN1; SMN2 (0.42) GAASMN1; SMN2TDP1PKMCYP3A4
SCHEMBL30950122 0.82 F2RL1 (0.33) ALDH1A1
SCHEMBL30079054 0.82 ALDH1A1 (0.34) MEN1KMT2AKDM4EALDH1A1
SCHEMBL4761780 0.81 SMN1; SMN2 (0.32) GAASMN1; SMN2TDP1MEN1KMT2A
SCHEMBL21296458 0.81 F2RL1 (0.33) GAAKDM4EALDH1A1
SCHEMBL15509075 0.81 KMT2A (0.40) GAASMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL11890433 0.81 ALDH1A1 (0.36) GAASMN1; SMN2PKMCYP3A4CYP2C9
SCHEMBL4013481 0.80 SMN1; SMN2 (0.33) GAASMN1; SMN2MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3737684-B1 2,4,6,7-TETRAHYDRO-PYRAZOLO[4,3-D]PYRIMIDIN-5-ONE DERIVATIVES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS FOR TREATING VASCULITIS AND INFLAMMATORY DISEASES IDORSIA PHARMACEUTICALS LTD (CH) 2022-11-16 EP disclosed
EP-3755699-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF Relay Therapeutics, Inc. (US) 2020-12-30 EP disclosed
US-20200392161-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF SCHRÖDINGER, INC. 2020-12-17 US disclosed
WO-2019165073-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2019-08-29 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 (1 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-20200392161-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPRCAP, PTPRJ, PTPRC GAA 753/4885SMN1; SMN2 2591/4885TDP1 1648/4885

“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.