SCHEMBL4703702

SCHEMBL4703702

O=[N+]([O-])c1cnn2c(-c3cccs3)ccnc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.55
MEN1 O00255 2/20 0.55
NPC1 O15118 2/20 0.55
NFKB1 P19838 2/20 0.55
RAB9A P51151 2/20 0.55
NFKB2 Q00653 2/20 0.55
KMT2A Q03164 2/20 0.55
RELA Q04206 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MAPT P10636 1/20 0.55
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 3/20 0.49
GLA P06280 2/20 0.49
GAA P10253 2/20 0.49
HPGD P15428 1/20 0.49
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
CYP17A1 P05093 1/20 0.40

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
SCHEMBL4701436 0.79 CLK4 (0.56) L3MBTL1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4702080 0.79 ALDH1A1 (0.52) L3MBTL1MEN1NPC1NFKB1RAB9A
SCHEMBL4699721 0.76 ALDH1A1 (0.47) L3MBTL1MEN1NPC1RAB9AKMT2A
SCHEMBL4700445 0.75 KDM4E (0.48) L3MBTL1MEN1KMT2AMAPTALDH1A1
SCHEMBL4699130 0.75 SMN1; SMN2 (0.50) L3MBTL1NPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL4701994 0.73 KDM4E (0.45) L3MBTL1NPC1NFKB1RAB9ANFKB2
SCHEMBL5821452 0.72 CDKN1A (0.58) L3MBTL1MEN1NPC1NFKB1RAB9A
SCHEMBL7474235 0.72 L3MBTL1 (0.50) L3MBTL1MEN1NPC1RAB9AKMT2A
SCHEMBL7791793 0.72 L3MBTL1 (0.54) L3MBTL1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL7469746 0.72 POLB (0.47) L3MBTL1MAPTALDH1A1POLBPKM

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 claimed
US-20070043064-A1 7-Substituted 3-nitro-pyrazo[1,5-a] pyrimidines FERRER INTERNACIONAL S.A. (ES) 2007-02-22 US claimed
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

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 L3MBTL1 3930/4885MEN1 3002/4885NPC1 352/4885

“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.