SCHEMBL4181791

SCHEMBL4181791

O=C(O)c1ccc(Cl)c2cc3ccccc3cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50
ALDH1A1 P00352 6/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
KDM4E B2RXH2 3/20 0.47
HSD17B10 Q99714 3/20 0.47
HPGD P15428 2/20 0.47
MAPT P10636 2/20 0.47
PKM P14618 1/20 0.47
HTT P42858 1/20 0.47
WDR5 P61964 1/20 0.47
IDO1 P14902 1/20 0.47
ATM Q13315 1/20 0.46
LDHA P00338 1/20 0.46
TSHR P16473 2/20 0.46
TP53 P04637 2/20 0.46
CASP1 P29466 1/20 0.46
SMN1; SMN2 Q16637 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
SCHEMBL29599514 0.88 NR4A1 (0.61) NR4A1NR4A2NR4A3ALDH1A1KMT2A
SCHEMBL68335 0.88 NR4A1 (0.61) NR4A1NR4A2NR4A3ALDH1A1KMT2A
SCHEMBL28321692 0.87 KMT2A (0.47) ALDH1A1KMT2AMEN1KDM4EHSD17B10
Hydrochloric Acid SCHEMBL21173945 0.86 NR4A1 (0.59) NR4A1NR4A2NR4A3ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL28890343 0.86 NR4A1 (0.59) NR4A1NR4A2NR4A3ALDH1A1KMT2A
SCHEMBL4351479 0.80 KMT2A (0.68) NR4A1NR4A2NR4A3ALDH1A1KMT2A
SCHEMBL2816321 0.79 CYP2A6 (0.58) ALDH1A1KMT2AHSD17B10MAPTATM
SCHEMBL29699776 0.79 CYP2A6 (0.58) ALDH1A1KMT2AHSD17B10MAPTATM
SCHEMBL6051302 0.79 ACMSD (0.54) NR4A1NR4A2NR4A3ALDH1A1KDM4E
SCHEMBL11639473 0.78 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1KDM4EHSD17B10

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-1989209-B1 Aza-thia-benzazulene derivatives and pharmaceutical use thereof NOVARTIS TIERGESUNDHEIT AG (CH) 2015-03-25 EP disclosed
US-8258128-B2 Organic compounds NOVARTIS AG (CH) 2012-09-04 US disclosed
US-20090131408-A1 Organic Compounds NOVARTIS TIERGESUNDHEIT AG (CH) 2009-05-21 US disclosed
EP-1989209-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2008-11-12 EP disclosed
WO-2007096150-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-08-30 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 (1 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-20090131408-A1 Organic Compounds IL1B, IL1A, TANK NR4A1 570/4885NR4A2 382/4885NR4A3 598/4885

“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.