SCHEMBL21998582

SCHEMBL21998582

CN1C(=O)/C(=N/N)c2cccnc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.36
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
TNKS2 Q9H2K2 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
TDP2 O95551 1/20 0.35
NSD2 O96028 1/20 0.35
ABL1 P00519 1/20 0.35
PLCG1 P19174 1/20 0.35
CES1 P23141 1/20 0.35
PAX8 Q06710 1/20 0.35
RIN1 Q13671 1/20 0.35
MEN1 O00255 1/20 0.35
THRB P10828 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 1/20 0.35
BRD4 O60885 5/20 0.34

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
SCHEMBL19308154 1.00 TTR (0.36) TTRCA1CA2CA12CA9
SCHEMBL21998588 0.80 ALDH1A1 (0.34) CA1CA2TNKS2TDP1TDP2
SCHEMBL21998585 0.80 CYP1B1 (0.41) CA1CA2CA12CA9MEN1
SCHEMBL21993882 0.80 S100A4 (0.36) CA1CA2TDP1TDP2NSD2
SCHEMBL19308167 0.80 CYP1B1 (0.41) CA1CA2CA12CA9MEN1
SCHEMBL20218196 0.78 CES1 (0.41) TTRTDP1TDP2NSD2ABL1
SCHEMBL2477071 0.78 CASP3 (0.52) TTRTDP1TDP2NSD2ABL1
SCHEMBL19308152 0.77 TNKS2 (0.33) TTRTNKS2TDP2NSD2ABL1
SCHEMBL19308146 0.77 CYP1B1 (0.38) KMT2ABRD4MAPT
SCHEMBL21993899 0.74 MAPT (0.51) CA1CA2CA12CA9CES1

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-10722500-B2 Gossypol 7-N-isatin Schiff base compounds with antitumor activities and a method of preparing the same SHAANXI PANLONG PHARMACEUTICAL GROUP LIMITED BY SHARE LTD. (CN) 2020-07-28 US disclosed
US-20200147057-A1 GOSSYPOL 7-N-ISATIN SCHIFF BASE COMPOUNDS WITH ANTITUMOR ACTIVITIES AND A METHOD OF PREPARING THE SAME SHAANXI PANLONG PHARMACEUTICAL GROUP LIMITED BY SHARE LTD. (CN) 2020-05-14 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 (2 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-10722500-B2 Gossypol 7-N-isatin Schiff base compounds with antitumor activities and a method of preparing the same HASPIN, GGPS1, GNA15 TTR 4315/4885CA1 2660/4885CA2 2639/4885
US-20200147057-A1 GOSSYPOL 7-N-ISATIN SCHIFF BASE COMPOUNDS WITH ANTITUMOR ACTIVITIES AND A METHOD OF PREPARING THE SAME HASPIN, GGPS1, GNA15 TTR 4315/4885CA1 2660/4885CA2 2639/4885

“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.