SCHEMBL2928150

SCHEMBL2928150

CCOC(=O)c1[nH]c2c([N+](=O)[O-])cccc2c1S(=O)(=O)N1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KMT2A Q03164 4/20 0.49
POLB P06746 2/20 0.49
ATM Q13315 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPT P10636 3/20 0.47
TP53 P04637 1/20 0.47
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 5/20 0.46
FBP1 P09467 1/20 0.44
USP2 O75604 1/20 0.44
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPK1 P28482 1/20 0.42

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
SCHEMBL2925068 0.84 KMT2A (0.55) LMNAKMT2APOLBATMTDP1
SCHEMBL2924630 0.80 SMN1; SMN2 (0.47) LMNASMN1; SMN2KMT2ATDP1MAPT
SCHEMBL5897372 0.75 FBP1 (0.57) LMNASMN1; SMN2KMT2AMAPTMEN1
SCHEMBL15333406 0.75 FBP1 (0.54) LMNASMN1; SMN2KMT2APOLBMAPT
SCHEMBL2924910 0.75 SMN1; SMN2 (0.47) LMNASMN1; SMN2KMT2ATDP1MAPT
SCHEMBL28455715 0.74 FBP1 (0.56) LMNASMN1; SMN2KMT2AMAPTMEN1
SCHEMBL28457774 0.74 FBP1 (0.73) LMNASMN1; SMN2KMT2AMAPTMEN1
SCHEMBL3043512 0.74 SMN1; SMN2 (0.54) LMNASMN1; SMN2KMT2AMAPTTP53
SCHEMBL2930041 0.73 SMN1; SMN2 (0.53) LMNASMN1; SMN2KMT2AMAPTTP53
SCHEMBL2924216 0.73 SMN1; SMN2 (0.53) LMNASMN1; SMN2KMT2AMAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1534695-B1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME (US) 2010-09-29 EP disclosed
US-20090186871-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2009-07-23 US disclosed
US-7560546-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2009-07-14 US disclosed
EP-1534695-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2008-06-11 EP disclosed
US-20050261496-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME LLC 2005-11-24 US disclosed
EP-1534695-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2005-06-01 EP disclosed
US-20040102360-A1 Combination therapy BARNETT STANLEY F (US) 2004-05-27 US disclosed
WO-2004014851-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2004-02-19 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 (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-20050261496-A1 Tyrosine kinase inhibitors ABL1, JAK2, ERBB2 LMNA 4850/4885SMN1; SMN2 4767/4885KMT2A 1038/4885
US-20040102360-A1 Combination therapy MTOR, AKT2, PLK1 LMNA 3197/4885SMN1; SMN2 3396/4885KMT2A 1485/4885
US-20090186871-A1 Tyrosine kinase inhibitors ABL1, JAK2, ERBB2 LMNA 4850/4885SMN1; SMN2 4767/4885KMT2A 1038/4885

“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.