SCHEMBL521563

SCHEMBL521563

Cc1noc(CCc2ccc(Cl)cc2)c1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 4/20 0.40
GAA P10253 1/20 0.40
CRHBP P24387 2/20 0.39
CRHR2 Q13324 2/20 0.39
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
P2RX7 Q99572 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
GPX4 P36969 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL521887 0.87 TSHR (0.45) ALDH1A1LMNAMAPTGAAKMT2A
SCHEMBL522589 0.86 ALDH1A1 (0.47) ALDH1A1LMNASMN1; SMN2MAPTMEN1
SCHEMBL520852 0.86 SMN1; SMN2 (0.44) ALDH1A1LMNASMN1; SMN2MAPTGAA
SCHEMBL521703 0.84 RAB9A (0.54) ALDH1A1LMNASMN1; SMN2MAPTGAA
SCHEMBL3454669 0.73 KMT2A (0.39) ALDH1A1LMNASMN1; SMN2MAPTCRHBP
SCHEMBL10033924 0.73 GPX4 (0.40) ALDH1A1LMNASMN1; SMN2MAPTGAA
SCHEMBL6612124 0.72 MAPT (0.39) ALDH1A1LMNASMN1; SMN2MAPTCRHBP
SCHEMBL522144 0.69 KMT2A (0.63) ALDH1A1LMNASMN1; SMN2MAPTCRHBP
SCHEMBL522145 0.69 KMT2A (0.63) ALDH1A1LMNASMN1; SMN2MAPTCRHBP
SCHEMBL27598984 0.68 CYP1A2 (0.70) ALDH1A1LMNASMN1; SMN2MAPTGAA

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-20120029197-A1 Method for Preparing Sulfur-Containing Compounds THE ROYAL COLLEGE OF SURGEONS IN IRELAND (IE) 2012-02-02 US claimed
EP-2376444-A1 A METHOD FOR PREPARING SULFUR-CONTAINING COMPOUNDS The Royal College of Surgeons in Ireland (IE) 2011-10-19 EP claimed
WO-2010066450-A1 A METHOD FOR PREPARING SULFUR-CONTAINING COMPOUNDS THE ROYAL COLLEGE OF SURGEONS IN IRELAND (IE) 2010-06-17 WO claimed
EP-2196456-A1 A method for preparing sulfur-containing compounds Royal College of Surgeons in Ireland (IE) 2010-06-16 EP claimed
US-20120029197-A1 Method for Preparing Sulfur-Containing Compounds THE ROYAL COLLEGE OF SURGEONS IN IRELAND (IE) 2012-02-02 US disclosed
US-20120029197-A1 Method for Preparing Sulfur-Containing Compounds THE ROYAL COLLEGE OF SURGEONS IN IRELAND (IE) 2012-02-02 US disclosed
EP-2376444-A1 A METHOD FOR PREPARING SULFUR-CONTAINING COMPOUNDS The Royal College of Surgeons in Ireland (IE) 2011-10-19 EP disclosed
EP-2376444-A1 A METHOD FOR PREPARING SULFUR-CONTAINING COMPOUNDS The Royal College of Surgeons in Ireland (IE) 2011-10-19 EP disclosed
WO-2010066450-A1 A METHOD FOR PREPARING SULFUR-CONTAINING COMPOUNDS THE ROYAL COLLEGE OF SURGEONS IN IRELAND (IE) 2010-06-17 WO disclosed
WO-2010066450-A1 A METHOD FOR PREPARING SULFUR-CONTAINING COMPOUNDS THE ROYAL COLLEGE OF SURGEONS IN IRELAND (IE) 2010-06-17 WO disclosed
EP-2196456-A1 A method for preparing sulfur-containing compounds Royal College of Surgeons in Ireland (IE) 2010-06-16 EP disclosed
EP-2196456-A1 A method for preparing sulfur-containing compounds Royal College of Surgeons in Ireland (IE) 2010-06-16 EP 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-20120029197-A1 Method for Preparing Sulfur-Containing Compounds SULT1E1, SULT1A1, TST ALDH1A1 195/4885LMNA 4235/4885SMN1; SMN2 1103/4885

“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.