SCHEMBL2387285

SCHEMBL2387285

O=C1COCC(c2ccc([N+](=O)[O-])cc2)N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
GAA P10253 4/20 0.42
ALDH1A1 P00352 3/20 0.42
POLB P06746 2/20 0.42
RECQL P46063 1/20 0.41
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
MAPT P10636 1/20 0.38
CRYZ Q08257 1/20 0.38
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NOTUM Q6P988 1/20 0.37
EPHX1 P07099 1/20 0.36
CRBN Q96SW2 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35

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
SCHEMBL2387282 1.00 LMNA (0.44) LMNAGAAALDH1A1POLBRECQL
SCHEMBL1463116 0.78 TDP1 (0.42) LMNAGAAKMT2ASMN1; SMN2
SCHEMBL19390846 0.78 ALDH1A1 (0.39) ALDH1A1POLBKMT2AMEN1MAPT
SCHEMBL14830081 0.78 ALDH1A1 (0.39) ALDH1A1POLBKMT2AMEN1MAPT
SCHEMBL2387995 0.78 CYP19A1 (0.41) CRBN
SCHEMBL2387992 0.78 CYP19A1 (0.41) CRBN
SCHEMBL1464332 0.78 TDP1 (0.42) LMNAGAAKMT2ASMN1; SMN2
SCHEMBL1273854 0.77 ALDH1A1 (0.39) GAAALDH1A1KMT2AMAPTKDM4E
SCHEMBL3398180 0.77 ALDH1A1 (0.39) GAAALDH1A1KMT2AMAPTKDM4E
SCHEMBL21121198 0.76 LMNA (0.50) LMNAGAAALDH1A1POLBRECQL

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 LMNA 4695/4885GAA 2744/4885ALDH1A1 2657/4885
US-20050272753-A1 Diaminopyrimidinecarboxa mide derivative STAT5A, STAT6, STAT4 LMNA 3872/4885GAA 3421/4885ALDH1A1 2316/4885
US-20090281072-A1 Diaminopyrimidinecarboxamide Derivative STAT6, STAT4, STAT3 LMNA 4695/4885GAA 2744/4885ALDH1A1 2657/4885

“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.