SCHEMBL4163499

SCHEMBL4163499

COc1nc(-c2ccccc2)sc1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.64
CDC7 O00311 5/20 0.60
DBF4 Q9UBU7 5/20 0.60
CCNE1 P24864 2/20 0.60
CDK2 P24941 2/20 0.60
TRPM8 Q7Z2W7 2/20 0.57
ALOX5 P09917 3/20 0.54
ALDH1A1 P00352 2/20 0.51
HPGD P15428 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
GAA P10253 2/20 0.50
KDM4E B2RXH2 2/20 0.50
RAB9A P51151 2/20 0.50
MAPT P10636 2/20 0.49
PTGDR2 Q9Y5Y4 2/20 0.49
NPC1 O15118 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL15049250 0.88 RAB9A (0.68) SMN1; SMN2CDC7DBF4CCNE1CDK2
SCHEMBL17374804 0.84 TRPM8 (0.59) SMN1; SMN2CDC7DBF4CCNE1CDK2
SCHEMBL4163787 0.83 CDC7 (0.79) CDC7DBF4TRPM8ALOX5ALDH1A1
SCHEMBL8867386 0.82 CDC7 (0.51) SMN1; SMN2CDC7DBF4CCNE1CDK2
SCHEMBL15049460 0.80 SMN1; SMN2 (0.55) SMN1; SMN2CDC7DBF4TRPM8ALOX5
SCHEMBL1327631 0.78 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1HPGDNPSR1GAA
SCHEMBL27500256 0.77 SMN1; SMN2 (0.59) SMN1; SMN2CDC7DBF4TRPM8ALDH1A1
SCHEMBL15048961 0.76 CDC7 (0.73) SMN1; SMN2CDC7DBF4CCNE1CDK2
SCHEMBL974859 0.76 CDC7 (0.84) SMN1; SMN2CDC7DBF4CCNE1CDK2
SCHEMBL13802657 0.76 HRH3 (0.57) ALOX5ALDH1A1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470816-B2 Nitrogen-containing heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-25 US disclosed
US-20090156572-A1 Nitrogen-containing heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-06-18 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-20090156572-A1 Nitrogen-containing heterocyclic compound and use thereof NTSR2, NTSR1, HNMT SMN1; SMN2 1425/4885CDC7 3202/4885DBF4 2822/4885

“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.