SCHEMBL21998585

SCHEMBL21998585

CCN1C(=O)/C(=N/N)c2cccnc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 2/20 0.41
CA2 P00918 3/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
BRD4 O60885 1/20 0.39
ALDH1A1 P00352 6/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
CASP1 P29466 3/20 0.38
HPGD P15428 1/20 0.38
MPI P34949 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
KMT2A Q03164 4/20 0.36
MAPT P10636 4/20 0.36
MEN1 O00255 3/20 0.36
MAPK1 P28482 3/20 0.36
CA1 P00915 2/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL19308167 1.00 CYP1B1 (0.41) CYP1B1CA2CA12CA9BRD4
SCHEMBL21993899 0.82 MAPT (0.51) CA2CA12CA9BRD4ALDH1A1
SCHEMBL19308146 0.82 CYP1B1 (0.38) CYP1B1BRD4ALDH1A1SMN1; SMN2CASP1
SCHEMBL19308154 0.80 TTR (0.36) CA2CA12CA9BRD4KMT2A
SCHEMBL21998582 0.80 TTR (0.36) CA2CA12CA9BRD4KMT2A
SCHEMBL19297675 0.80 BRD4 (0.43) CYP1B1BRD4ALDH1A1SMN1; SMN2CASP1
SCHEMBL19308145 0.79 BRD4 (0.35) CYP1B1CA2CA12CA9BRD4
SCHEMBL19308157 0.79 BRD4 (0.52) BRD4ALDH1A1HPGDKMT2AMAPT
SCHEMBL21993882 0.77 S100A4 (0.36) CA2ALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL21998588 0.77 ALDH1A1 (0.34) CA2ALDH1A1KMT2AMEN1CA1

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 CYP1B1 1316/4885CA2 2639/4885CA12 1078/4885
US-20200147057-A1 GOSSYPOL 7-N-ISATIN SCHIFF BASE COMPOUNDS WITH ANTITUMOR ACTIVITIES AND A METHOD OF PREPARING THE SAME HASPIN, GGPS1, GNA15 CYP1B1 1316/4885CA2 2639/4885CA12 1078/4885

“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.