SCHEMBL25136377

SCHEMBL25136377

CCOC(=O)c1cccc(-c2cncs2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.59
MAPT P10636 6/20 0.49
RAB9A P51151 7/20 0.42
NPC1 O15118 6/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HSP90AA1 P07900 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PKM P14618 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL25136438 0.79 ECE1 (0.51) KDM4ETDP1
SCHEMBL10507044 0.76 CYP1A2 (0.68) CYP1A2MAPTALDH1A1GAASMN1; SMN2
SCHEMBL11713162 0.76 ESR1 (0.51) CYP1A2MAPTRAB9ANPC1ALDH1A1
SCHEMBL1478915 0.76 CYP1A2 (1.00) CYP1A2MAPTRAB9ANPC1KMT2A
SCHEMBL2835370 0.75 CYP1A2 (0.66) CYP1A2MAPTKMT2AALDH1A1MEN1
SCHEMBL21664174 0.75 CYP1A2 (0.60) CYP1A2MAPTRAB9ANPC1KMT2A
SCHEMBL30363842 0.74 CYP1A2 (0.59) CYP1A2MAPTRAB9ANPC1KMT2A
SCHEMBL4542515 0.74 TP53 (0.48) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL19894007 0.73 TSHR (0.54) CYP1A2MAPTRAB9ANPC1KMT2A
SCHEMBL21523771 0.73 ALDH1A1 (0.47) CYP1A2MAPTRAB9ANPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4370512-A1 CD38 MODULATORS AND METHODS OF USE THEREOF Cytokinetics, Inc. (US) 2024-05-22 EP disclosed
CN-117813296-A CD38 modulators and methods of use thereof 赛特凯恩蒂克公司 2024-04-02 CN disclosed
US-20230116972-A1 CD38 MODULATORS AND METHODS OF USE THEREOF CYTOKINETICS, INC. 2023-04-20 US disclosed
WO-2023288195-A1 CD38 MODULATORS AND METHODS OF USE THEREOF CYTOKINETICS, INC. (US) 2023-01-19 WO 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-20230116972-A1 CD38 MODULATORS AND METHODS OF USE THEREOF CD38, CXCR4, FCGRT CYP1A2 1793/4885MAPT 645/4885RAB9A 3306/4885

“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.