SCHEMBL16635834

SCHEMBL16635834

NC(=S)c1cncc(F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.55
BAZ2B Q9UIF8 1/20 0.33
CTSL P07711 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
PARP1 P09874 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
DDO Q99489 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
SLC18A3 Q16572 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
CYP11B2 P19099 2/20 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
SCHEMBL29540435 0.78 HCAR2 (0.67) HCAR2KDM4EALDH1A1LMNAPARP1
SCHEMBL2714659 0.78 HCAR2 (0.67) HCAR2KDM4EALDH1A1LMNAPARP1
SCHEMBL8005179 0.78 HCAR2 (0.55) HCAR2LMNACYP11B2
Hydrochloric Acid SCHEMBL20839163 0.77 HCAR2 (0.53) HCAR2LMNAKMT2A
SCHEMBL24844633 0.75 HCAR2 (0.52) HCAR2KDM4EALDH1A1LMNAPARP1
SCHEMBL12127773 0.74 HCAR2 (0.55) HCAR2ALDH1A1
SCHEMBL12130493 0.74 BAZ2B (0.33) BAZ2BKDM4EALDH1A1LMNAMEN1
SCHEMBL15006443 0.74 HCAR2 (0.55) HCAR2BAZ2BKDM4ELMNACYP1A2
SCHEMBL3824235 0.74 SIRT2 (0.45) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL289858 0.74 POLB (0.55) HCAR2KDM4EALDH1A1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3054947-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2021-11-17 EP disclosed
CN-106715424-B Bicyclic compounds as pesticides 拜耳作物科学股份公司 2020-07-14 CN disclosed
WO-2020124397-A1 C-TERMINAL SRC KINASE INHIBITORS INVENTISBIO SHANGHAI LTD. (CN) 2020-06-25 WO disclosed
EP-3152216-B1 BICYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2019-07-24 EP disclosed
US-10294243-B2 Bicyclic compounds as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-05-21 US disclosed
US-20170101422-A1 Bicyclic compounds as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-04-13 US disclosed
EP-3152216-A1 BICYCLIC COMPOUNDS AS PESTICIDES Bayer CropScience Aktiengesellschaft (DE) 2017-04-12 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
WO-2015185531-A1 BICYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2015-12-10 WO disclosed
WO-2015054038-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-04-16 WO disclosed
WO-2015051479-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 (3 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-20160244417-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTSZ HCAR2 3092/4885BAZ2B 235/4885CTSL 8/4885
US-10294243-B2 Bicyclic compounds as pesticides DDT, BCHE, CYCS HCAR2 1063/4885BAZ2B 1332/4885CTSL 1101/4885
US-20170101422-A1 Bicyclic compounds as pesticides DDT, BCHE, CYCS HCAR2 1063/4885BAZ2B 1332/4885CTSL 1101/4885

“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.