SCHEMBL2924910

SCHEMBL2924910

CCOC(=O)c1[nH]c2ccc(Br)c([N+](=O)[O-])c2c1S(=O)(=O)N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
ALDH1A1 P00352 4/20 0.43
MAPK1 P28482 3/20 0.41
USP2 O75604 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 2/20 0.40
ALOX15 P16050 1/20 0.40
LMNA P02545 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 4/20 0.39
HSD17B10 Q99714 4/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 2/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.38
MITF O75030 1/20 0.38
TP53 P04637 1/20 0.38
NTSR1 P30989 1/20 0.38

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
SCHEMBL2925831 0.87 SMN1; SMN2 (0.49) SMN1; SMN2KMT2AMEN1ALDH1A1MAPK1
SCHEMBL2924798 0.85 ALDH1A1 (0.39) KMT2AMEN1ALDH1A1TDP1MAPT
SCHEMBL2929860 0.81 SMN1; SMN2 (0.47) SMN1; SMN2KMT2AMEN1ALDH1A1MAPK1
SCHEMBL2924630 0.80 SMN1; SMN2 (0.47) SMN1; SMN2KMT2AMEN1ALDH1A1MAPK1
SCHEMBL2924216 0.78 SMN1; SMN2 (0.53) SMN1; SMN2KMT2AALDH1A1MAPK1USP2
SCHEMBL2929535 0.77 SMN1; SMN2 (0.50) SMN1; SMN2KMT2AMEN1ALDH1A1MAPK1
SCHEMBL2928150 0.75 LMNA (0.50) SMN1; SMN2KMT2AMEN1ALDH1A1MAPK1
SCHEMBL3043512 0.74 SMN1; SMN2 (0.54) SMN1; SMN2KMT2AMEN1ALDH1A1MAPK1
SCHEMBL2929962 0.74 SMN1; SMN2 (0.47) SMN1; SMN2KMT2AMEN1ALDH1A1MAPK1
SCHEMBL2930041 0.74 SMN1; SMN2 (0.53) SMN1; SMN2KMT2AMEN1ALDH1A1MAPK1

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-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
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 (2 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 SMN1; SMN2 4767/4885KMT2A 1038/4885MEN1 2270/4885
US-20090186871-A1 Tyrosine kinase inhibitors ABL1, JAK2, ERBB2 SMN1; SMN2 4767/4885KMT2A 1038/4885MEN1 2270/4885

“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.