SCHEMBL21993899

SCHEMBL21993899

N/N=C1/C(=O)N(Cc2ccccc2)c2ncccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
APP P05067 3/20 0.51
SNCA P37840 3/20 0.51
ALDH1A1 P00352 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
PKM P14618 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
BRD4 O60885 2/20 0.45
CA2 P00918 4/20 0.44
CA1 P00915 3/20 0.44
CA12 O43570 2/20 0.44
CA9 Q16790 2/20 0.44
CASP3 P42574 1/20 0.43
LRRK2 Q5S007 1/20 0.43
ALDH2 P05091 1/20 0.42
CHRM1 P11229 1/20 0.42
CES1 P23141 1/20 0.42
ALDH3A1 P30838 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL19308157 0.83 BRD4 (0.52) MAPTAPPSNCAALDH1A1NPSR1
SCHEMBL19308151 0.82 MAPT (0.50) MAPTAPPSNCAALDH1A1NPSR1
SCHEMBL21998585 0.82 CYP1B1 (0.41) MAPTAPPSNCAALDH1A1NPSR1
SCHEMBL19308167 0.82 CYP1B1 (0.41) MAPTAPPSNCAALDH1A1NPSR1
SCHEMBL2473625 0.81 CASP3 (0.61) MAPTAPPSNCAALDH1A1NPSR1
SCHEMBL21999902 0.79 ALDH1A1 (0.66) MAPTAPPSNCAALDH1A1NPSR1
SCHEMBL19297709 0.77 BRD4 (0.49) MAPTAPPSNCAALDH1A1NPSR1
SCHEMBL19297710 0.77 BRD4 (0.49) MAPTAPPSNCAALDH1A1NPSR1
SCHEMBL19297708 0.77 BRD4 (0.49) MAPTAPPSNCAALDH1A1NPSR1
SCHEMBL19308154 0.74 TTR (0.36) MAPTBRD4CA2CA1CA12

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 MAPT 4682/4885APP 4391/4885SNCA 2988/4885
US-20200147057-A1 GOSSYPOL 7-N-ISATIN SCHIFF BASE COMPOUNDS WITH ANTITUMOR ACTIVITIES AND A METHOD OF PREPARING THE SAME HASPIN, GGPS1, GNA15 MAPT 4682/4885APP 4391/4885SNCA 2988/4885

“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.