SCHEMBL6737352

SCHEMBL6737352

O=C(c1ccc(-c2nc(NCc3cccc(Cl)c3)nc(-c3ccc(C(=O)N4CCCCC4)cc3)n2)cc1)N1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.58
ADORA2B P29275 3/20 0.58
HSD11B1 P28845 2/20 0.53
THRB P10828 2/20 0.53
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
NTRK1 P04629 1/20 0.48
HPGD P15428 4/20 0.47
MAPK8 P45983 1/20 0.46
MAPK10 P53779 1/20 0.46
SLC6A7 Q99884 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4D Q08499 1/20 0.46
TP53 P04637 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC6 Q9UBN7 1/20 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
SCHEMBL3241843 0.84 NPC1 (0.63) ADORA2AADORA2BHSD11B1THRBNPC1
SCHEMBL6738681 0.81 HPGD (0.48) HSD11B1THRBNPC1RAB9AHPGD
SCHEMBL6739289 0.81 HDAC1 (0.51) NPC1RAB9APDE4BPDE4DHDAC3
SCHEMBL6737053 0.81 HPGD (0.48) NPC1RAB9AHPGDTP53HDAC3
SCHEMBL3241841 0.80 HSD11B1 (0.59) HSD11B1NPC1RAB9ATP53
SCHEMBL20784710 0.73 ADORA2B (1.00) ADORA2AADORA2B
SCHEMBL20784385 0.71 ADORA2B (1.00) ADORA2AADORA2B
SCHEMBL24051632 0.71 HDAC3 (0.56) ADORA2AADORA2BTHRBNTRK1HPGD
SCHEMBL29944586 0.70 ALDH1A1 (0.70) NPC1RAB9AHPGD
SCHEMBL3457036 0.70 ALDH1A1 (0.70) NPC1RAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040082627-A1 Certain aromatic monocycles as kinase modulators CGI PHARMACEUTICALS, INC. 2004-04-29 US claimed
WO-2004000820-A2 CERTAIN AROMATIC MONOCYCLES AS KINASE MODULATORS CELLULAR GENOMICS, INC. (US) 2003-12-31 WO claimed
US-20040082627-A1 Certain aromatic monocycles as kinase modulators CGI PHARMACEUTICALS, INC. 2004-04-29 US disclosed
WO-2004000820-A2 CERTAIN AROMATIC MONOCYCLES AS KINASE MODULATORS CELLULAR GENOMICS, INC. (US) 2003-12-31 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-20040082627-A1 Certain aromatic monocycles as kinase modulators MAP3K20, MAP3K1, MAP3K19 ADORA2A 1654/4885ADORA2B 3389/4885HSD11B1 2644/4885

“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.