SCHEMBL4489396

SCHEMBL4489396

O=C(CCc1cccnc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.54
MAPT P10636 10/20 0.53
ALDH1A1 P00352 7/20 0.53
CYP11B1 P15538 1/20 0.53
CYP11B2 P19099 1/20 0.53
GAA P10253 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
POLB P06746 1/20 0.49
MAPK1 P28482 1/20 0.49
MPI P34949 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
C3AR1 Q16581 1/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL16310778 0.87 TBXAS1 (0.58) LMNA
SCHEMBL4471667 0.83 MAPT (0.63) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL9475090 0.81 PLOD2 (0.60) ALDH1A1SMN1; SMN2MEN1KMT2ATDP1
SCHEMBL24636716 0.81 MAPT (0.60) NAMPTMAPTALDH1A1GAASMN1; SMN2
SCHEMBL6794180 0.80 CHRNA7 (0.53) ALDH1A1KDM4ELMNA
SCHEMBL7538532 0.79 KMT2A (0.53) MAPTALDH1A1CYP11B1CYP11B2MEN1
SCHEMBL25132633 0.79 TBXAS1 (0.50) ALDH1A1KMT2ALMNA
SCHEMBL8538121 0.79 NAMPT (0.49) NAMPTMAPTALDH1A1CYP11B1CYP11B2
SCHEMBL22275318 0.78 PKM (0.59) NAMPTMAPTSMN1; SMN2HTT
SCHEMBL7367952 0.78 RAB9A (0.68) MAPTALDH1A1GAASMN1; SMN2HTT

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
EP-1487841-B1 THIOPYRIMIDINE AND ISOTHIAZOLOPYRIMIDINE KINASE INHIBITORS ABBVIE INC (US) 2014-01-15 EP disclosed
US-7560552-B2 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABBOTT LABORATORIES (US) 2009-07-14 US disclosed
US-20060276490-A1 Thiopyrimidine and isothiazolopyrimidine Kinase Inhibitors MICHAELIDES MICHAEL R 2006-12-07 US disclosed
EP-1487841-A1 THIOPYRIMIDINE AND ISOTHIAZOLOPYRIMIDINE KINASE INHIBITORS Abbott Laboratories (US) 2004-12-22 EP disclosed
US-20040014756-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABBVIE INC. 2004-01-22 US disclosed
WO-2003080625-A1 THIOPYRIMIDINE AND ISOTHIAZOLOPYRIMIDINE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2003-10-02 WO disclosed
US-20030181468-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABBOTT LABORATORIES 2003-09-25 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 (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-20040014756-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABL1, ERBB2, LCK NAMPT 677/4885MAPT 3255/4885ALDH1A1 1463/4885
US-20060276490-A1 Thiopyrimidine and isothiazolopyrimidine Kinase Inhibitors ABL1, LCK, ERBB2 NAMPT 592/4885MAPT 2789/4885ALDH1A1 2048/4885
US-20030181468-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABL1, ERBB2, LCK NAMPT 682/4885MAPT 3162/4885ALDH1A1 1559/4885

“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.