SCHEMBL17549801

SCHEMBL17549801

S=C1CC=C(c2ccncc2)N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.38
▸ NISCH Q9Y2I1 1/20 0.36
▸ NOTUM Q6P988 1/20 0.36
▸ BCHE P06276 1/20 0.35
▸ PABPC1 P11940 1/20 0.34
▸ APOBEC3A P31941 1/20 0.34
▸ EIF4H Q15056 1/20 0.34
▸ APOBEC3G Q9HC16 1/20 0.34
▸ PDPK1 O15530 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ CISD1 Q9NZ45 2/20 0.33
▸ MAOA P21397 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ IDO1 P14902 1/20 0.32
▸ TP53 P04637 1/20 0.32

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
SCHEMBL10016924 0.64 MAPT (0.40) LMNAMAPTNISCHNOTUMPDPK1
SCHEMBL31748577 0.64 NAPRT (0.37) LMNAMAPTNOTUM
SCHEMBL9728 0.63 MAPT (1.00) LMNAMAPTHDAC8NOTUMPABPC1
SCHEMBL22673876 0.61 LMNA (0.37) LMNAMAPTNISCHNOTUMPDPK1
Hydrogen Sulfide SCHEMBL3929756 0.60 MAPT (0.92) LMNAMAPTHDAC8NOTUMPABPC1
Hydrochloric Acid SCHEMBL8372850 0.60 MAPT (0.92) LMNAMAPTHDAC8NOTUMPABPC1
Water SCHEMBL11112402 0.60 MAPT (0.92) LMNAMAPTHDAC8NOTUMPABPC1
SCHEMBL135626 0.60 MAPT (0.92) LMNAMAPTHDAC8NOTUMPABPC1
Hydrochloric Acid SCHEMBL5548691 0.60 MAPT (0.92) LMNAMAPTHDAC8NOTUMPABPC1
SCHEMBL10000032 0.60 MAPT (0.92) LMNAMAPTHDAC8NOTUMPABPC1

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-20180051314-A1 COMPOUNDS, SUBSTRATES AND METHODS RELATED TO HISTONE DEACETYLASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-02-22 — — US disclosed
US-9745613-B2 Compounds, substrates and methods related to histone deacetylases THE BROAD INSTITUTE, INC. (US) 2017-08-29 — — US disclosed
US-20160060679-A1 COMPOUNDS, SUBSTRATES AND METHODS RELATED TO HISTONE DEACETYLASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-03-03 — — 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-20180051314-A1 COMPOUNDS, SUBSTRATES AND METHODS RELATED TO HISTONE DEACETYLASES HDAC1, HDAC11, HDAC10 LMNA 379/4885MAPT 3304/4885HDAC8 18/4885
US-20160060679-A1 COMPOUNDS, SUBSTRATES AND METHODS RELATED TO HISTONE DEACETYLASES HDAC1, HDAC11, HDAC10 LMNA 370/4885MAPT 3442/4885HDAC8 20/4885

“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.

Send feedback