SCHEMBL21994233

SCHEMBL21994233

N/N=C1/C(=O)Nc2ncccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 3/20 0.43
ALDH1A1 P00352 3/20 0.43
GAA P10253 2/20 0.43
NPC1 O15118 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43
MCL1 Q07820 1/20 0.43
APP P05067 2/20 0.43
SNCA P37840 2/20 0.43
TNKS2 Q9H2K2 6/20 0.40
CTRC Q99895 1/20 0.39
RAF1 P04049 1/20 0.39
NTRK1 P04629 1/20 0.39
TDP2 O95551 1/20 0.37
NSD2 O96028 1/20 0.37
ABL1 P00519 1/20 0.37
PLCG1 P19174 1/20 0.37

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
SCHEMBL29759335 0.76 CYP1A2 (0.59) CYP1A2SMN1; SMN2MAPTALDH1A1GAA
SCHEMBL22806019 0.76 CYP1A2 (0.59) CYP1A2SMN1; SMN2MAPTALDH1A1GAA
SCHEMBL2493976 0.76 CYP1A2 (0.59) CYP1A2SMN1; SMN2MAPTALDH1A1GAA
SCHEMBL20218242 0.76 CYP1A2 (0.59) CYP1A2SMN1; SMN2MAPTALDH1A1GAA
SCHEMBL6246169 0.73 ALDH1A1 (0.43) CYP1A2SMN1; SMN2MAPTALDH1A1GAA
SCHEMBL6246167 0.73 ALDH1A1 (0.43) CYP1A2SMN1; SMN2MAPTALDH1A1GAA
SCHEMBL7741266 0.72 CYP1A2 (0.44) CYP1A2SMN1; SMN2MAPTALDH1A1GAA
SCHEMBL3544607 0.71 LRRK2 (0.62) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL3613979 0.71 LRRK2 (0.62) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL5740660 0.71 LRRK2 (0.62) MAPTALDH1A1GAAMEN1KMT2A

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 CYP1A2 2969/4885SMN1; SMN2 2367/4885MAPT 4682/4885
US-20200147057-A1 GOSSYPOL 7-N-ISATIN SCHIFF BASE COMPOUNDS WITH ANTITUMOR ACTIVITIES AND A METHOD OF PREPARING THE SAME HASPIN, GGPS1, GNA15 CYP1A2 2969/4885SMN1; SMN2 2367/4885MAPT 4682/4885

“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.