SCHEMBL3599741

SCHEMBL3599741

Cc1c(C(=O)O)cnn1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
PTGDR2 Q9Y5Y4 4/20 0.51
TDP1 Q9NUW8 1/20 0.48
ABCB11 O95342 2/20 0.47
GAA P10253 2/20 0.47
HTT P42858 2/20 0.47
GFER P55789 1/20 0.47
EGLN1 Q9GZT9 1/20 0.45
CCR2 P41597 6/20 0.45
PIK3C2B O00750 1/20 0.44
NOTUM Q6P988 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL3602237 0.85 SMN1; SMN2 (0.73) KMT2ASMN1; SMN2PTGDR2TDP1GAA
SCHEMBL6052538 0.83 KMT2A (0.55) KMT2ASMN1; SMN2GAANOTUMTSHR
SCHEMBL21333090 0.82 MITF (0.48) KMT2ASMN1; SMN2PTGDR2TDP1HTT
SCHEMBL15873981 0.77 KLKB1 (0.47) KMT2ASMN1; SMN2
SCHEMBL21523730 0.77 TDP1 (0.49) KMT2ASMN1; SMN2PTGDR2TDP1GAA
SCHEMBL1198911 0.76 MEN1 (0.52) KMT2A
SCHEMBL1923196 0.76 HPGD (0.48) SMN1; SMN2PTGDR2ABCB11GAAHTT
SCHEMBL21523758 0.75 HTT (0.50) KMT2ASMN1; SMN2PTGDR2TDP1GAA
SCHEMBL2402900 0.73 NOTUM (0.57) KMT2ATDP1HTTGFERNOTUM
SCHEMBL3602948 0.73 SCD5 (0.48) KMT2APTGDR2ABCB11GAAHTT

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-20100041696-A1 Compounds SMITHKLINE BEECHAM CORPORATION 2010-02-18 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-20100041696-A1 Compounds CYP11B2, SCD, CYP3A5 KMT2A 3500/4885SMN1; SMN2 618/4885PTGDR2 911/4885

“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.