SCHEMBL21993882

SCHEMBL21993882

CON1C(=O)/C(=N/N)c2cccnc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 0.36
HKDC1 Q2TB90 2/20 0.33
PADI1 Q9ULC6 1/20 0.33
PADI3 Q9ULW8 1/20 0.33
PADI4 Q9UM07 1/20 0.33
PADI2 Q9Y2J8 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
TDP2 O95551 1/20 0.33
NSD2 O96028 1/20 0.33
ABL1 P00519 1/20 0.33
PLCG1 P19174 1/20 0.33
CES1 P23141 1/20 0.33
PAX8 Q06710 1/20 0.33

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
SCHEMBL21998582 0.80 TTR (0.36) MAPTRAB9ACA1CA2TDP2
SCHEMBL19308154 0.80 TTR (0.36) MAPTRAB9ACA1CA2TDP2
SCHEMBL21931643 0.80 BLM (0.41) S100A4HKDC1PADI1PADI3PADI4
SCHEMBL21998585 0.77 CYP1B1 (0.41) NPC1TP53MAPTRAB9ASMN1; SMN2
SCHEMBL19308167 0.77 CYP1B1 (0.41) NPC1TP53MAPTRAB9ASMN1; SMN2
SCHEMBL21998588 0.77 ALDH1A1 (0.34) CA1CA2TDP2NSD2ABL1
SCHEMBL21993899 0.70 MAPT (0.51) MAPTCA1CA2CES1MEN1
SCHEMBL13495402 0.69 CYP2D6 (0.50) S100A4HKDC1PADI1PADI3PADI4
SCHEMBL798345 0.61 GAA (0.52) TP53MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL30219494 0.61 GAA (0.52) TP53MAPTRAB9ASMN1; SMN2MEN1

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 S100A4 1356/4885HKDC1 4167/4885PADI1 2600/4885
US-20200147057-A1 GOSSYPOL 7-N-ISATIN SCHIFF BASE COMPOUNDS WITH ANTITUMOR ACTIVITIES AND A METHOD OF PREPARING THE SAME HASPIN, GGPS1, GNA15 S100A4 1356/4885HKDC1 4167/4885PADI1 2600/4885

“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.