SCHEMBL30104601

SCHEMBL30104601

O=CNCC(O)c1ccc(O)c(O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.62
TDP1 Q9NUW8 10/20 0.62
KDM4E B2RXH2 10/20 0.62
ADRB2 P07550 8/20 0.62
HSD17B10 Q99714 7/20 0.62
TSHR P16473 6/20 0.62
MAPK1 P28482 6/20 0.62
ADRB1 P08588 5/20 0.62
MEN1 O00255 5/20 0.62
KMT2A Q03164 5/20 0.62
HIF1A Q16665 5/20 0.62
ADRB3 P13945 4/20 0.62
CYP1A2 P05177 4/20 0.62
CYP3A4 P08684 4/20 0.62
RECQL P46063 4/20 0.62
MTOR P42345 3/20 0.62
ADORA3 P0DMS8 3/20 0.62
DRD2 P14416 3/20 0.62
ADRA1D P25100 3/20 0.62
ADRA1A P35348 3/20 0.62

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
SCHEMBL3442521 1.00 MAPT (0.62) MAPTTDP1KDM4EADRB2HSD17B10
SCHEMBL12610450 0.85 MAPT (0.49) MAPTTDP1KDM4EADRB2HSD17B10
SCHEMBL31530706 0.80 ADRB2 (0.68) MAPTTDP1KDM4EADRB2HSD17B10
SCHEMBL3443638 0.80 HIF1A (0.58) TDP1KDM4EADRB2HSD17B10TSHR
SCHEMBL28528503 0.80 MAPT (0.58) MAPTTDP1KDM4EADRB2HSD17B10
SCHEMBL31530707 0.80 ADRB2 (0.68) MAPTTDP1KDM4EADRB2HSD17B10
SCHEMBL28151492 0.79 ADRB2 (0.66) MAPTTDP1KDM4EADRB2HSD17B10
SCHEMBL3442803 0.78 HIF1A (0.64) KDM4EADRB2TSHRADRB1MEN1
SCHEMBL25100811 0.77 MAPT (0.69) MAPTTDP1KDM4EADRB2HSD17B10
SCHEMBL9768173 0.77 MAPT (0.69) MAPTTDP1KDM4EADRB2HSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250101014-A1 BENZOISOTHIAZOLE AND BENZOISOXAZOLE COMPOUNDS FOR THE TREATMENT OF MENTAL DISORDERS SUVEN LIFE SCIENCES LIMITED (IN) 2025-03-27 US disclosed
US-20240009186-A1 SOLUTION FOR ORAL ADMINISTRATION OTSUKA PHARMACEUTICAL CO., LTD. 2024-01-11 US disclosed
US-20220378943-A1 ENHANCER POLYNUCLEOTIDE RESPONDING TO HEART FAILURE AND EXPRESSION VECTOR INCLUDING SAID ENHANCER POLYNUCLEOTIDE OSAKA UNIVERSITY (JP) 2022-12-01 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 (1 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-20250101014-A1 BENZOISOTHIAZOLE AND BENZOISOXAZOLE COMPOUNDS FOR THE TREATMENT OF MENTAL DISORDERS GABRA5, GABBR1, GABRA2 MAPT 242/4885TDP1 2133/4885KDM4E 2301/4885

“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.