SCHEMBL4339044

SCHEMBL4339044

CN(c1cc([N+](=O)[O-])cc[n+]1[O-])C(C)(O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.41
ATM Q13315 1/20 0.36
CYP19A1 P11511 1/20 0.35
ALDH1A1 P00352 4/20 0.35
LMNA P02545 6/20 0.34
MAPT P10636 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
HCRTR1 O43613 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MITF O75030 1/20 0.33
F2R P25116 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
F2RL3 Q96RI0 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
SCHEMBL5821067 0.75 ALDH1A1 (0.41) ALDH1A1LMNAMAPTSMN1; SMN2RAB9A
SCHEMBL30000702 0.72 ALDH1A1 (0.41) ATMALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL6752686 0.71 OPRM1 (0.42) ALDH1A1LMNAMAPTSMN1; SMN2NPC1
SCHEMBL6662488 0.68 ALDH1A1 (0.43) ATMALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL6659536 0.68 CHRNB2 (0.49) ALDH1A1LMNAMAPTSMN1; SMN2MEN1
SCHEMBL17687431 0.66 PTPRC (0.63) PTPRCALDH1A1LMNAMAPTSMN1; SMN2
Nitrobenzene SCHEMBL28227021 0.64 ALDH1A1 (0.73) PTPRCATMCYP19A1ALDH1A1LMNA
SCHEMBL2633543 0.64 PTPRC (0.69) PTPRCALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL6302889 0.64 PTPRC (0.69) PTPRCALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL18000477 0.63 TSHR (0.47) ALDH1A1LMNAMAPTSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612197-B2 Reacting a nucleophil with OH group with an electrophil to form an adduct, reacting adduct with a reagent selected from oxidizing, sulfurizing or selenizing agents to produce hydroxy protected oligonucleotide, heating to deprotect hydroxy protecting group such as 2-(2-pyridyl)aminoethoxycarbonyl The United States of America as repesented by the Secretary of the Department of Health and Human Services (US) 2009-11-03 US disclosed
US-20060281911-A1 Thermolabile hydroxyl protecting groups and methods of use GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH (US) 2006-12-14 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 (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-20060281911-A1 Thermolabile hydroxyl protecting groups and methods of use ADH1A, CYP2E1, ADH1C PTPRC 3601/4885ATM 3886/4885CYP19A1 116/4885

“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.