SCHEMBL2386321

SCHEMBL2386321

O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCOCC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.74
LMNA P02545 2/20 0.72
SMN1; SMN2 Q16637 3/20 0.64
CYP2C9 P11712 2/20 0.63
CYP2C19 P33261 1/20 0.63
MAPT P10636 2/20 0.62
HPGD P15428 2/20 0.61
NPSR1 Q6W5P4 1/20 0.61
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
ALDH1A1 P00352 1/20 0.60
CYP3A4 P08684 1/20 0.60
RAB9A P51151 2/20 0.59
NPC1 O15118 1/20 0.59
TP53 P04637 1/20 0.59
ESR2 Q92731 1/20 0.59
BLM P54132 1/20 0.59
AKR1C3 P42330 1/20 0.58
MLYCD O95822 1/20 0.57
PHGDH O43175 1/20 0.57

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
SCHEMBL28813844 0.89 GAA (0.85) GAALMNASMN1; SMN2MAPTMEN1
SCHEMBL14574134 0.86 GAA (0.97) GAALMNASMN1; SMN2MEN1KMT2A
SCHEMBL9435700 0.85 GAA (1.00) GAALMNASMN1; SMN2MEN1KMT2A
SCHEMBL14574161 0.84 LMNA (1.00) GAALMNASMN1; SMN2CYP2C9MAPT
SCHEMBL12694371 0.83 POLB (0.75) GAALMNASMN1; SMN2CYP2C9CYP2C19
SCHEMBL7258861 0.82 GAA (0.74) GAALMNASMN1; SMN2MAPTMEN1
SCHEMBL14574146 0.82 GAA (0.74) GAALMNASMN1; SMN2MAPTHPGD
SCHEMBL9416765 0.80 GAA (0.58) GAALMNASMN1; SMN2CYP2C9CYP2C19
SCHEMBL27906792 0.80 LMNA (0.62) GAALMNASMN1; SMN2CYP2C9CYP2C19
SCHEMBL25681592 0.80 GAA (1.00) GAALMNASMN1; SMN2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110294749-A1 DIAMINOPYRIMIDINECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-12-01 US disclosed
EP-1518855-B1 DIAMINOPYRIMIDINECARBOXA MIDE DERIVATIVE ASTELLAS PHARMA INC (JP) 2011-10-26 EP disclosed
US-8012959-B2 Diaminopyrimidinecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2011-09-06 US disclosed
US-20090281072-A1 Diaminopyrimidinecarboxamide Derivative ASTELLAS PHARM INC. (JP) 2009-11-12 US disclosed
US-7449456-B2 Diaminopyrimidinecarboxamide derivative ASTELLAS PHARMA, INC. (JP) 2008-11-11 US disclosed
US-20050272753-A1 Diaminopyrimidinecarboxa mide derivative ASTELLAS PHARMA INC. (JP) 2005-12-08 US disclosed
EP-1518855-A1 DIAMINOPYRIMIDINECARBOXA MIDE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2005-03-30 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 (3 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-20110294749-A1 DIAMINOPYRIMIDINECARBOXAMIDE DERIVATIVE STAT6, STAT4, STAT3 GAA 2744/4885LMNA 4695/4885SMN1; SMN2 4649/4885
US-20050272753-A1 Diaminopyrimidinecarboxa mide derivative STAT5A, STAT6, STAT4 GAA 3421/4885LMNA 3872/4885SMN1; SMN2 4496/4885
US-20090281072-A1 Diaminopyrimidinecarboxamide Derivative STAT6, STAT4, STAT3 GAA 2744/4885LMNA 4695/4885SMN1; SMN2 4649/4885

“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.