SCHEMBL1991577

SCHEMBL1991577

CN1CCCC(COS(C)(=O)=O)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
EDNRA P25101 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3R1 P27986 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
CHRM2 P08172 2/20 0.34
ADRA2A P08913 2/20 0.34
CHRM1 P11229 2/20 0.34
DRD1 P21728 2/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
ADRA1A P35348 2/20 0.34

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
SCHEMBL13784497 0.89 NCF1 (0.38) SMN1; SMN2CHRM2CHRM1CHRM3LMNA
SCHEMBL19462040 0.89 NCF1 (0.38) SMN1; SMN2CHRM2CHRM1CHRM3LMNA
SCHEMBL2587295 0.83 CYP4F2 (0.45) TP53TSHRMEN1KMT2A
SCHEMBL20076238 0.83 KDM4E (0.36) LMNATSHR
SCHEMBL13752703 0.79 NCF1 (0.43) MAOAMAOBHRH3LMNATSHR
SCHEMBL1710403 0.79 ALDH1A1 (0.38) LMNAPOLB
SCHEMBL3596666 0.79 ALDH1A1 (0.38) LMNAPOLB
SCHEMBL31637322 0.79 CYP4F2 (0.42) LMNAPOLB
SCHEMBL3261975 0.79 ALDH1A1 (0.38) LMNAPOLB
SCHEMBL121125 0.78 LMNA (0.39) LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3442947-B1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS EPIZYME INC (US) 2023-06-07 EP disclosed
US-20210198277-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS Epizyme, Inc. 2021-07-01 US disclosed
EP-3429994-B1 2-CYANOISOINDOLINE DERIVATIVES FOR TREATING CANCER MISSION THERAPEUTICS LTD (GB) 2021-06-16 EP disclosed
WO-2021077010-A1 BIFUNCTIONAL MOLECULES CONTAINING AN E3 UBIQUITINE LIGASE BINDING MOIETY LINKED TO A BCL6 TARGETING MOIETY ARVINAS OPERATIONS, INC. (US) 2021-04-22 WO disclosed
US-10683269-B2 2-cyanoisoindoline derivatives for treating cancer MISSION THERAPEUTICS LIMITED (GB) 2020-06-16 US disclosed
EP-3442947-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS Epizyme Inc (US) 2019-02-20 EP disclosed
EP-3429994-A1 2-CYANOISOINDOLINE DERIVATIVES FOR TREATING CANCER Mission Therapeutics Limited (GB) 2019-01-23 EP disclosed
US-20190010122-A1 2-CYANOISOINDOLINE DERIVATIVES FOR TREATING CANCER MISSION THERAPEUTICS LIMITED (GB) 2019-01-10 US disclosed
US-20170355712-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS Epizyme, Inc. 2017-12-14 US disclosed
US-20170355712-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS Epizyme, Inc. 2017-12-14 US disclosed
WO-2017181177-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS Epizyme, Inc. (US) 2017-10-19 WO disclosed
WO-2017181177-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS Epizyme, Inc. (US) 2017-10-19 WO disclosed
WO-2017158388-A1 2-CYANOISOINDOLINE DERIVATIVES FOR TREATING CANCER MISSION THERAPEUTICS LIMITED (GB) 2017-09-21 WO disclosed
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 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 (5 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-20170355712-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS SHMT1, BHMT, BHMT2 SMN1; SMN2 504/4885CHRNB2 2168/4885CHRNB4 3427/4885
US-20190010122-A1 2-CYANOISOINDOLINE DERIVATIVES FOR TREATING CANCER USP7, USP47, USP2 SMN1; SMN2 4184/4885CHRNB2 3351/4885CHRNB4 3780/4885
US-20210198277-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS SHMT1, BHMT, BHMT2 SMN1; SMN2 504/4885CHRNB2 2168/4885CHRNB4 3427/4885
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS TPMT, TSLP, THPO SMN1; SMN2 2548/4885CHRNB2 4463/4885CHRNB4 4474/4885
US-10683269-B2 2-cyanoisoindoline derivatives for treating cancer USP7, USP47, USP2 SMN1; SMN2 4184/4885CHRNB2 3351/4885CHRNB4 3780/4885

“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.