Sugi Predict

Sugi Predict / Compounds / SCHEMBL16635708

SCHEMBL16635708

SCHEMBL16635708

NC(=S)c1ccc(F)cn1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BAZ2B Q9UIF8 2/20 0.42
▸ APLNR P35414 1/20 0.38
▸ KMT2A Q03164 1/20 0.36
▸ P4HTM Q9NXG6 3/20 0.34
▸ MT-CO1 P00395 1/20 0.33
▸ MT-CO2 P00403 1/20 0.33
▸ EDNRA P25101 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ HTR1F P30939 1/20 0.33
▸ BACE1 P56817 3/20 0.32
▸ IDO1 P14902 1/20 0.31
▸ SLC22A2 O15244 1/20 0.31
▸ SLC22A1 O15245 1/20 0.31
▸ SLC22A3 O75751 1/20 0.31
▸ PLAU P00749 1/20 0.31
▸ BACE2 Q9Y5Z0 1/20 0.31

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
SCHEMBL319254 0.78 KMT2A (0.58) APLNRKMT2AP4HTM
SCHEMBL13285357 0.78 APLNR (0.38) APLNRKMT2AP4HTMMT-CO1MT-CO2
SCHEMBL30074643 0.78 KMT2A (0.58) APLNRKMT2AP4HTM
SCHEMBL1442910 0.78 PRMT1 (0.45) APLNRKMT2AP4HTMMT-CO1MT-CO2
Hydrochloric Acid SCHEMBL4126365 0.77 KMT2A (0.56) APLNRKMT2AP4HTMBACE1BACE2
Hydrochloric Acid SCHEMBL17893734 0.77 PRMT1 (0.44) APLNRKMT2AP4HTMMT-CO1MT-CO2
SCHEMBL4548483 0.75 APLNR (0.36) APLNRKMT2AP4HTMMT-CO1MT-CO2
SCHEMBL30639625 0.75 APLNR (0.36) APLNRKMT2AP4HTMMT-CO1MT-CO2
SCHEMBL4731197 0.75 APLNR (0.36) APLNRKMT2AP4HTMMT-CO1MT-CO2
SCHEMBL17969195 0.74 MAOB (0.47) BAZ2BP4HTMIDO1PLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 — — EP disclosed
EP-3054947-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2021-11-17 — — EP disclosed
EP-3148539-B1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION INC (US) 2021-02-17 — — EP disclosed
US-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 — — US disclosed
US-10457675-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2019-10-29 — — US disclosed
US-10065948-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2018-09-04 — — US disclosed
US-20170101402-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2017-04-13 — — US disclosed
EP-3148539-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2017-04-05 — — EP disclosed
US-9573913-B2 Cathepsin cysteine protease inhibitors MERCK SHARP & DOHME CORP. (US) 2017-02-21 — — US disclosed
US-20160244417-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-08-25 — — US disclosed
EP-3054947-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-08-17 — — EP disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 — — US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 — — US disclosed
WO-2015187542-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION INC. (US) 2015-12-10 — — WO disclosed
WO-2015051479-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-04-16 — — WO disclosed
WO-2015054038-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-04-16 — — WO 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 (6 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-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 BAZ2B 3419/4885APLNR 3240/4885KMT2A 865/4885
US-10065948-B2 Histone deacetylase inhibitors and compositions and methods of use thereof HDAC1, HDAC6, HDAC5 BAZ2B 62/4885APLNR 4137/4885KMT2A 54/4885
US-20160244417-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTSZ BAZ2B 235/4885APLNR 2866/4885KMT2A 3400/4885
US-10457675-B2 Histone deacetylase inhibitors and compositions and methods of use thereof HDAC1, HDAC7, HDAC2 BAZ2B 46/4885APLNR 4268/4885KMT2A 62/4885
US-20170101402-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC6, HDAC5 BAZ2B 62/4885APLNR 4137/4885KMT2A 54/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 BAZ2B 3419/4885APLNR 3240/4885KMT2A 865/4885

“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.