SCHEMBL1244024

SCHEMBL1244024

COC(=O)c1ccc(N(C)C(=O)CBr)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.62
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 3/20 0.51
TSHR P16473 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HPGD P15428 2/20 0.51
HSD17B10 Q99714 2/20 0.51
NPC1 O15118 1/20 0.51
GAA P10253 1/20 0.51
MAPK1 P28482 1/20 0.51
MAPT P10636 3/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
CA12 O43570 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
ROCK2 O75116 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.46

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
SCHEMBL13645980 0.86 NOTUM (0.61) NOTUMALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL6932477 0.85 NOTUM (0.59) NOTUMALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL21765667 0.84 KMT2A (0.46) NOTUMALDH1A1SMN1; SMN2HPGDMAPK1
SCHEMBL7140538 0.83 NOTUM (0.58) NOTUMALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL2636334 0.83 NOTUM (0.58) NOTUMALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL7137753 0.82 NOTUM (0.56) NOTUMALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL23063887 0.81 NOTUM (0.55) NOTUMALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL30520315 0.79 GSK3B (0.53) ALDH1A1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL9096918 0.79 NOTUM (0.65) NOTUMALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL9136121 0.77 NOTUM (0.63) NOTUMALDH1A1KDM4ETSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730121-B1 1,4-DIARYL-DIHYDROPYRIMIDIN-2-ONES AND THEIR USE AS HUMAN NEUTROPHIL ELASTASE INHIBITORS BAYER IP GMBH (DE) 2013-08-07 EP disclosed
US-8343987-B2 Heterocyclic derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-01-01 US disclosed
US-7893073-B2 Heterocyclic derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-02-22 US disclosed
US-20100184788-A1 HETEROCYCLIC DERIVATIVES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-07-22 US disclosed
US-20080021053-A1 Heterocyclic Derivatives BAYER HEALTHCARE AG (DE) 2008-01-24 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 (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-20080021053-A1 Heterocyclic Derivatives TNNI3, CYP11B2, TNNT2 NOTUM 2735/4885ALDH1A1 460/4885KDM4E 4443/4885
US-20100184788-A1 HETEROCYCLIC DERIVATIVES TNNI3, TNNT2, CYP11B2 NOTUM 2920/4885ALDH1A1 459/4885KDM4E 4421/4885

“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.