SCHEMBL22402136

SCHEMBL22402136

CCOC(=O)c1c(N)sc2c1CCC(F)C2

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 15/20 0.75
ALDH1A1 P00352 14/20 0.75
HPGD P15428 9/20 0.75
GAA P10253 8/20 0.75
KDM4E B2RXH2 6/20 0.75
HSD17B10 Q99714 5/20 0.75
ALOX15 P16050 3/20 0.75
TSHR P16473 1/20 0.75
ALOX12 P18054 1/20 0.75
MAPK1 P28482 1/20 0.64
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
ADORA1 P30542 4/20 0.58
POLB P06746 3/20 0.51
RECQL P46063 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
LMNA P02545 2/20 0.48

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
SCHEMBL21247239 0.86 ALDH1A1 (1.00) MAPTALDH1A1HPGDGAAKDM4E
SCHEMBL2949670 0.86 ALDH1A1 (1.00) MAPTALDH1A1HPGDGAAKDM4E
SCHEMBL22392290 0.85 ALDH1A1 (0.54) MAPTALDH1A1HPGDGAAKDM4E
SCHEMBL14478808 0.85 ALDH1A1 (1.00) MAPTALDH1A1HPGDGAAKDM4E
SCHEMBL5629040 0.84 MAPT (0.73) MAPTALDH1A1HPGDGAAKDM4E
SCHEMBL18135595 0.82 MAPT (0.74) MAPTALDH1A1HPGDGAAKDM4E
SCHEMBL17816395 0.82 MAPT (0.72) MAPTALDH1A1HPGDGAAKDM4E
SCHEMBL2944021 0.82 MAPT (0.72) MAPTALDH1A1HPGDGAAKDM4E
SCHEMBL2306052 0.81 MAPT (0.80) MAPTALDH1A1HPGDGAAKDM4E
SCHEMBL3987732 0.81 ALDH1A1 (0.78) MAPTALDH1A1HPGDGAAKDM4E

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-11358972-B2 Pentacyclic heterocycles EISAI R&D MANAGEMENT CO., LTD. (JP) 2022-06-14 US disclosed
EP-3936190-A1 PENTACYCLIC HETEROCYCLIC COMPOUND Eisai R&D Management Co., Ltd. (JP) 2022-01-12 EP disclosed
US-20200283452-A1 PENTACYCLIC HETEROCYCLES EISAI R&D MANAGEMENT CO., LTD. (JP) 2020-09-10 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-11358972-B2 Pentacyclic heterocycles CYP2C19, CYP2C18, XDH MAPT 3678/4885ALDH1A1 352/4885HPGD 97/4885
US-20200283452-A1 PENTACYCLIC HETEROCYCLES CYP2C19, CYP2C18, XDH MAPT 3678/4885ALDH1A1 352/4885HPGD 97/4885

“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.