SCHEMBL2958448

SCHEMBL2958448

O=C(NCCCN1CCOCC1)c1sc2c(ccc(=O)n2-c2ccccc2)c1Nc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPK1 P28482 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TSHR P16473 1/20 0.48
RAB9A P51151 1/20 0.47
GAA P10253 3/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
PKM P14618 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HTT P42858 1/20 0.46
HIF1A Q16665 1/20 0.46
GLA P06280 1/20 0.46
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
POLB P06746 2/20 0.45

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
SCHEMBL2953745 0.95 LMNA (0.51) ALDH1A1KDM4ESMN1; SMN2MAPK1MEN1
SCHEMBL2953704 0.90 MAPT (0.46) ALDH1A1KDM4ESMN1; SMN2MAPK1MEN1
SCHEMBL5652071 0.88 HTT (0.51) ALDH1A1KDM4ESMN1; SMN2MAPK1MEN1
SCHEMBL2958735 0.85 MEN1 (0.47) ALDH1A1KDM4EMEN1KMT2ATSHR
SCHEMBL5652540 0.82 HPGD (0.52) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL2949078 0.81 NAMPT (0.48) ALDH1A1KDM4ESMN1; SMN2MAPK1MEN1
SCHEMBL2952845 0.80 CXCR2 (0.42) ALDH1A1KDM4ESMN1; SMN2RAB9AGAA
SCHEMBL2949859 0.78 CDK4 (0.37) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL2952787 0.78 LMNA (0.47) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL2956215 0.78 PARP1 (0.42) ALDH1A1KDM4EMEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7423047-B2 Arylamine substituted bicyclic heteroaromatic compounds as p38 kinase inhibitors CELLTECH R&D LIMITED (GB) 2008-09-09 US claimed
US-20060004025-A1 Arylamine substututed bicyclic heteroaromatic compounds as p38 kinase inhibitors UCB PHARMA S.A. (BE) 2006-01-05 US claimed
US-7763729-B2 Bicyclic heteroaromatic derivatives UCB PHARMA S.A. (BE) 2010-07-27 US disclosed
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives CELLTECH R&D LIMITED (GB) 2009-02-12 US disclosed
US-7423047-B2 Arylamine substituted bicyclic heteroaromatic compounds as p38 kinase inhibitors CELLTECH R&D LIMITED (GB) 2008-09-09 US disclosed
US-20060004025-A1 Arylamine substututed bicyclic heteroaromatic compounds as p38 kinase inhibitors UCB PHARMA S.A. (BE) 2006-01-05 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-20060004025-A1 Arylamine substututed bicyclic heteroaromatic compounds as p38 kinase inhibitors MAPK1, CNKSR1, ALK ALDH1A1 1045/4885KDM4E 2174/4885SMN1; SMN2 3637/4885
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives MAPK1, CNKSR1, CBR1 ALDH1A1 717/4885KDM4E 2211/4885SMN1; SMN2 3472/4885

“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.