Sugi Predict

Sugi Predict / Compounds / SCHEMBL6960124

SCHEMBL6960124

SCHEMBL6960124

O=C1CCCCN1C(=O)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.63
▸ MITF O75030 1/20 0.63
▸ KDM4E B2RXH2 1/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ CYP2D6 P10635 1/20 0.58
▸ MAPT P10636 1/20 0.58
▸ THRB P10828 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ RECQL P46063 1/20 0.58
▸ BLM P54132 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ ALDH1A1 P00352 5/20 0.56
▸ HPGD P15428 2/20 0.55
▸ AVPR2 P30518 7/20 0.54
▸ AVPR1A P37288 6/20 0.54
▸ OXTR P30559 2/20 0.54
▸ USP2 O75604 1/20 0.49

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
SCHEMBL151854 0.98 SMN1; SMN2 (0.66) SMN1; SMN2MITFKDM4EMEN1CYP1A2
SCHEMBL8380782 0.98 SMN1; SMN2 (0.66) SMN1; SMN2MITFKDM4EMEN1CYP1A2
SCHEMBL8379316 0.98 SMN1; SMN2 (0.66) SMN1; SMN2MITFKDM4EMEN1CYP1A2
SCHEMBL9874977 0.98 SMN1; SMN2 (0.66) SMN1; SMN2MITFKDM4EMEN1CYP1A2
SCHEMBL8380683 0.98 SMN1; SMN2 (0.66) SMN1; SMN2MITFKDM4EMEN1CYP1A2
SCHEMBL1002469 0.95 CYP1A2 (0.64) SMN1; SMN2MITFKDM4EMEN1CYP1A2
Water SCHEMBL27387795 0.93 CYP1A2 (0.62) SMN1; SMN2MITFKDM4EMEN1CYP1A2
SCHEMBL8377415 0.91 MITF (0.73) SMN1; SMN2MITFKDM4EMEN1CYP1A2
SCHEMBL8380777 0.89 MITF (0.77) SMN1; SMN2MITFKDM4EMEN1CYP1A2
SCHEMBL1948086 0.89 MITF (0.77) SMN1; SMN2MITFKDM4EMEN1CYP1A2

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10035769-B2 Quaternary heteroatom containing compounds CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2018-07-31 — — US disclosed
US-20170137382-A1 QUATERNARY HETEROATOM CONTAINING COMPOUNDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-05-18 — — US disclosed
US-20170137382-A1 QUATERNARY HETEROATOM CONTAINING COMPOUNDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-05-18 — — US disclosed
US-8822679-B2 Quaternary heteroatom containing compounds CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-09-02 — — US disclosed
US-8822679-B2 Quaternary heteroatom containing compounds CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-09-02 — — US disclosed
US-20130267699-A1 QUATERNARY HETEROATOM CONTAINING COMPOUNDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-10-10 — — US disclosed
US-20130267699-A1 QUATERNARY HETEROATOM CONTAINING COMPOUNDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-10-10 — — US disclosed
US-20130012701-A1 QUATERNARY HETEROATOM CONTAINING COMPOUNDS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2013-01-10 — — US disclosed
US-20130012701-A1 QUATERNARY HETEROATOM CONTAINING COMPOUNDS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2013-01-10 — — US disclosed
WO-2012178129-A2 QUATERNARY HETEROATOM CONTAINING COMPOUNDS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-12-27 — — WO disclosed
US-5648521-A DECYCLIZATION, OXIDATION HOECHST AKTIENGESELLSCHAFT (DE) 1997-07-15 — — US disclosed
US-5620976-A PREVENTION AND TREATMENT OF DISEASES DUE TO INSUFFICIENCY OF THE CENTRAL CHOLINE FUNCTIONS EISAI CO., LTD. (JP) 1997-04-15 — — US disclosed
EP-0742216-A2 Cyclic amide derivatives Eisai Co., Ltd. (JP) 1996-11-13 — — EP disclosed
EP-0739880-A2 Process for the preparation of amido peroxycarboxylic acids HOECHST AKTIENGESELLSCHAFT (DE) 1996-10-30 — — EP disclosed
US-5521182-A ACETYLCHOLINESTERASE INHIBITORS EISAI CO., LTD. (JP) 1996-05-28 — — US disclosed
US-5504088-A ACETYLCHOLINE ESTERASE INHIBITORS; ALZHEIMER'S DISEASE AND OTHER DISEASES CAUSED BY A LOW CONCENTRATION OF CHOLINE EISAI CO., LTD. (JP) 1996-04-02 — — US disclosed
EP-0677516-A1 Cyclic amide derivatives Eisai Co., Ltd. (JP) 1995-10-18 — — EP disclosed
US-5292735-A Cyclic amide derivatives EISAI CO., LTD. (JP) 1994-03-08 — — US disclosed
EP-0503471-A1 Acylaminosubstituted hetrazepines BOEHRINGER INGELHEIM KG (DE) 1992-09-16 — — EP disclosed
EP-0468187-A2 Cyclic amide derivatives Eisai Co., Ltd. (JP) 1992-01-29 — — EP 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 (4 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-20130267699-A1 QUATERNARY HETEROATOM CONTAINING COMPOUNDS SDHA, NQO1, SDHB SMN1; SMN2 2994/4885MITF 674/4885KDM4E 650/4885
US-10035769-B2 Quaternary heteroatom containing compounds SDHA, NQO1, SDHB SMN1; SMN2 2994/4885MITF 674/4885KDM4E 650/4885
US-20130012701-A1 QUATERNARY HETEROATOM CONTAINING COMPOUNDS PRMT9, AFF1, PRMT1 SMN1; SMN2 4066/4885MITF 2836/4885KDM4E 304/4885
US-20170137382-A1 QUATERNARY HETEROATOM CONTAINING COMPOUNDS SDHA, NQO1, SDHB SMN1; SMN2 2994/4885MITF 674/4885KDM4E 650/4885

“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.