SCHEMBL13262011

SCHEMBL13262011

Clc1ccc(Nc2nnc(Nc3ccc(Cl)cc3)o2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.58
HRH3 Q9Y5N1 2/20 0.55
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
QPCT Q16769 1/20 0.49
MAPT P10636 1/20 0.48
VCP P55072 1/20 0.47
ACHE P22303 1/20 0.46
EPHX2 P34913 1/20 0.43
FLT1 P17948 1/20 0.41
KDR P35968 1/20 0.41
DGAT1 O75907 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL15127609 0.90 GSK3B (0.54) GSK3BHRH3CA12CA1CA2
SCHEMBL2792585 0.86 GSK3B (0.48) GSK3BHRH3CA12CA1CA2
SCHEMBL3532271 0.78 SPHK2 (0.74) GSK3BQPCTVCPACHEMEN1
SCHEMBL17377392 0.78 SPHK2 (0.74) GSK3BQPCTVCPACHEMEN1
SCHEMBL13229677 0.77 HRH3 (0.54) GSK3BHRH3MAPTMEN1KMT2A
SCHEMBL13262009 0.76 GSK3B (0.59) GSK3BHRH3CA12CA1CA2
SCHEMBL1344940 0.76 TSHR (0.56) GSK3BCA12CA1CA2CA9
SCHEMBL17377390 0.76 GSK3B (1.00) GSK3BQPCTMAPTACHEMEN1
SCHEMBL13229673 0.76 HRH3 (0.56) GSK3BHRH3CA12CA1CA2
SCHEMBL3541250 0.75 GSK3B (0.45) GSK3BHRH3CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100168190-A1 Novel azoles and related derivatives as non-nucleoside reverse transcriptase inhibitors (nnrtis) in antiviral therapy (hiv) YALE UNIVERSITY (US) 2010-07-01 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 (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-20100168190-A1 Novel azoles and related derivatives as non-nucleoside reverse transcriptase inhibitors (nnrtis) in antiviral therapy (hiv) OXA1L, POLRMT, PNP GSK3B 1155/4885HRH3 2342/4885CA12 4749/4885

“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.