SCHEMBL4702502

SCHEMBL4702502

CCCN(c1cccc(C(=O)C=CN(C)C)c1)S(=O)(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.51
▸ MAPT P10636 5/20 0.51
▸ GAA P10253 3/20 0.51
▸ ESR1 P03372 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ RECQL P46063 1/20 0.50
▸ HTT P42858 3/20 0.47
▸ HPGD P15428 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ LMNA P02545 1/20 0.42
▸ RORC P51449 1/20 0.42
▸ ALOX5 P09917 1/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ HTR7 P34969 1/20 0.41

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
SCHEMBL4702500 1.00 ALDH1A1 (0.51) ALDH1A1MAPTGAAESR1SMN1; SMN2
SCHEMBL4704762 0.94 ESR1 (0.53) ALDH1A1MAPTGAAESR1SMN1; SMN2
SCHEMBL4704761 0.94 ESR1 (0.53) ALDH1A1MAPTGAAESR1SMN1; SMN2
SCHEMBL1884748 0.91 ALDH1A1 (0.53) ALDH1A1MAPTGAAESR1SMN1; SMN2
SCHEMBL1884750 0.91 ALDH1A1 (0.53) ALDH1A1MAPTGAAESR1SMN1; SMN2
SCHEMBL4699713 0.89 ALDH1A1 (0.50) ALDH1A1MAPTGAAESR1HTT
SCHEMBL4699717 0.89 ALDH1A1 (0.50) ALDH1A1MAPTGAAESR1HTT
SCHEMBL1883915 0.87 MAPT (0.52) ALDH1A1MAPTGAASMN1; SMN2RECQL
SCHEMBL1883916 0.87 MAPT (0.52) ALDH1A1MAPTGAASMN1; SMN2RECQL
SCHEMBL1884439 0.86 MAPT (0.51) ALDH1A1MAPTGAASMN1; SMN2RECQL

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-1648896-B1 7-SUBSTITUTED 3-NITRO-PYRAZOLO [1,5-A] PYRIMIDINES FERRER INT (ES) 2008-02-13 — — EP disclosed
US-20070043064-A1 7-Substituted 3-nitro-pyrazo[1,5-a] pyrimidines FERRER INTERNACIONAL S.A. (ES) 2007-02-22 — — US disclosed
EP-1648896-A1 7-SUBSTITUTED 3-NITRO-PYRAZOLO [1,5-A] PYRIMIDINES FERRER INTERNACIONAL, S.A. (ES) 2006-04-26 — — EP disclosed
WO-2005014596-A1 7-SUBSTITUTED 3-NITRO-PYRAZOLO `1,5-A! PYRIMIDINES FERRER INTERNACIONAL, S.A. (ES) 2005-02-17 — — 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-20070043064-A1 7-Substituted 3-nitro-pyrazo[1,5-a] pyrimidines GABRB1, GABRA1, GABRB2 ALDH1A1 113/4885MAPT 2772/4885GAA 1908/4885

“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.

Send feedback