SCHEMBL612959

SCHEMBL612959

c1ccc(CN2CCSCC2)cc1

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.71
KDM4E B2RXH2 2/20 0.66
ALDH1A1 P00352 2/20 0.66
POLB P06746 1/20 0.66
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
CYP2A13 Q16696 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.60
MC4R P32245 1/20 0.59
CYP3A4 P08684 1/20 0.58
HSD17B10 Q99714 1/20 0.58
DRD4 P21917 1/20 0.57

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
SCHEMBL24023435 0.88 ALDH1A1 (0.62) SIGMAR1KDM4EALDH1A1POLBCYP2A13
SCHEMBL18396749 0.88 SIGMAR1 (0.65) SIGMAR1KDM4EALDH1A1POLBMC4R
SCHEMBL2075836 0.88 SIGMAR1 (0.59) SIGMAR1KDM4EALDH1A1POLBMEN1
SCHEMBL1041303 0.84 SIGMAR1 (1.00) SIGMAR1POLBKMT2AMC4RDRD4
SCHEMBL242970 0.84 SIGMAR1 (1.00) SIGMAR1POLBKMT2AMC4RDRD4
SCHEMBL1415730 0.84 SIGMAR1 (1.00) SIGMAR1POLBKMT2AMC4RDRD4
SCHEMBL8188324 0.84 SIGMAR1 (1.00) SIGMAR1POLBKMT2AMC4RDRD4
SCHEMBL2489199 0.84 SIGMAR1 (1.00) SIGMAR1POLBKMT2AMC4RDRD4
SCHEMBL576868 0.84 SIGMAR1 (1.00) SIGMAR1POLBKMT2AMC4RDRD4
SCHEMBL27790866 0.82 DRD2 (0.59) SIGMAR1KDM4EALDH1A1POLBDRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113087684-B Application of bis (triphenylphosphine) carbonyl ruthenium dichloride monohydrate 浙江工业大学 2022-06-21 CN claimed
CN-113087684-A Application of bis (triphenylphosphine) carbonyl ruthenium dichloride monohydrate 浙江工业大学 2021-07-09 CN claimed
EP-2336315-B1 Enzymatic encoding methods for efficient synthesis of large libraries NUEVOLUTION AS (DK) 2017-07-19 EP claimed
CN-103910658-B A kind of sulfide oxidation becomes the method for sulfone 宁夏大学 2016-08-17 CN claimed
CN-103910658-A Method of oxidizing thioether to sulfone UNIV NINGXIA 2014-07-09 CN claimed
WO-2013117771-A2 COSMETIC TREATMENT METHOD, AND COMPOSITION COMPRISING A GLYOXYLIC ACID DERIVATIVE L'OREAL (FR) 2013-08-15 WO claimed
EP-2336315-A2 Enzymatic encoding methods for efficient synthesis of large libraries Nuevolution A/S (DK) 2011-06-22 EP claimed
US-4016263-A BACTERICIDES BOEHRINGER INGELHEIM GMBH (DT) 1977-04-05 US claimed
WO-2025028365-A1 PHOTOCHROMIC COMPOUND, PHENOL DERIVATIVE, CURABLE COMPOSITION, OPTICAL ARTICLE, LENS, AND EYEGLASS 株式会社トクヤマ 2025-02-06 WO disclosed
WO-2024204554-A1 SPIROCYCLIC MORPHINAN DERIVATIVE 日本ケミファ株式会社 2024-10-03 WO disclosed
US-11702652-B2 Enzymatic encoding methods for efficient synthesis of large libraries NUEVOLUTION A/S (DK) 2023-07-18 US disclosed
US-20230087342-A1 AZEPANE DERIVATIVE NIPPON CHEMIPHAR CO., LTD. (JP) 2023-03-23 US disclosed
EP-4116303-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS BTK INHIBITORS FOR THE TREATMENT OF CANCER Loxo Oncology, Inc. (US) 2023-01-11 EP disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-0054748-B1 PROCESS FOR THE PREPARATION OF AQUEOUS SOLUTIONS OF CATIONIC ORGANOSILICIUM COMPOUNDS Degussa Aktiengesellschaft (DE) 1984-09-26 EP disclosed
US-4390712-A Aqueous solution of cationic organosilicon compounds and process for the production of the solutions DEGUSSA AG (DE) 1983-06-28 US disclosed
EP-0054748-A2 Process for the preparation of aqueous solutions of cationic organosilicium compounds Degussa Aktiengesellschaft (DE) 1982-06-30 EP disclosed
US-4332937-A DYES FOR POLYACRYLONITRILE CIBA-GEIGY CORPORATION (US) 1982-06-01 US disclosed
US-4016263-A BACTERICIDES BOEHRINGER INGELHEIM GMBH (DT) 1977-04-05 US disclosed
US-4016263-A BACTERICIDES BOEHRINGER INGELHEIM GMBH (DT) 1977-04-05 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 (1 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-20230087342-A1 AZEPANE DERIVATIVE ADCY10, AZI2, PRMT1 SIGMAR1 186/4885KDM4E 1089/4885ALDH1A1 1400/4885

“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.