SCHEMBL5378395

SCHEMBL5378395

CCOC(=O)c1csc(N2CCNCC2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.53
MAPT P10636 5/20 0.51
ALDH1A1 P00352 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
LMNA P02545 3/20 0.50
GAA P10253 2/20 0.50
POLB P06746 2/20 0.50
HPGD P15428 1/20 0.50
BLM P54132 1/20 0.50
ESR2 Q92731 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
BAZ2A Q9UIF9 3/20 0.49
PARP1 P09874 1/20 0.48
TNK2 Q07912 1/20 0.48
TNK1 Q13470 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
Hydrochloric Acid SCHEMBL2584196 0.99 MAPT (0.53) OGAMAPTALDH1A1MEN1KMT2A
Tert-Butyl Formate SCHEMBL27789548 0.89 OGA (0.49) OGAMAPTALDH1A1MEN1KMT2A
SCHEMBL7185606 0.88 ALDH1A1 (0.62) OGAMAPTALDH1A1MEN1KMT2A
SCHEMBL10464669 0.86 ALDH1A1 (0.64) OGAMAPTALDH1A1MEN1KMT2A
SCHEMBL10466693 0.85 OGA (0.56) OGAMAPTALDH1A1MEN1KMT2A
SCHEMBL10464496 0.85 OGA (0.53) OGAMAPTALDH1A1MEN1KMT2A
SCHEMBL15348920 0.85 CRBN (0.55) MEN1KMT2ABAZ2ACHEK1
SCHEMBL7173774 0.84 OGA (0.55) OGAMAPTALDH1A1MEN1KMT2A
SCHEMBL3436196 0.84 PARP1 (0.47) OGAMAPTALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL6707393 0.84 CRBN (0.54) MEN1KMT2ABAZ2ACHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200165257-A1 INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE AND HISTONE DEACETYLASE FOR TREATMENT OF CANCER THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2020-05-28 US disclosed
US-20200165257-A1 INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE AND HISTONE DEACETYLASE FOR TREATMENT OF CANCER THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2020-05-28 US disclosed
WO-2018237007-A1 INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE AND HISTONE DEACETYLASE FOR TREATMENT OF CANCER THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2018-12-27 WO disclosed
US-7300939-B2 Substituted 1-propiolylpiperazine compounds, their preparation and use GRUENENTHAL GMBH (DE) 2007-11-27 US disclosed
US-20070112011-A1 Substituted 1-propiolylpiperazine compounds, their preparation and use GRUENENTHAL GMBH (DE) 2007-05-17 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-20200165257-A1 INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE AND HISTONE DEACETYLASE FOR TREATMENT OF CANCER HDAC1, HDAC3, HDAC4 OGA 2732/4885MAPT 4015/4885ALDH1A1 2163/4885
US-20070112011-A1 Substituted 1-propiolylpiperazine compounds, their preparation and use GRM5, GRIK5, GRM1 OGA 4512/4885MAPT 3334/4885ALDH1A1 3746/4885

“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.