SCHEMBL5852

SCHEMBL5852

O=Cc1ccc(-c2cccs2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 2/20 0.56
ERN1 O75460 4/20 0.54
GSK3B P49841 1/20 0.53
LTA4H P09960 1/20 0.52
CYP17A1 P05093 1/20 0.50
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
DPP4 P27487 1/20 0.47
KCNH2 Q12809 1/20 0.46
TNFRSF1A P19438 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
CYP2E1 P05181 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2A6 P11509 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2B6 P20813 1/20 0.42
LPL P06858 1/20 0.42
LIPG Q9Y5X9 1/20 0.42
PTGS1 P23219 1/20 0.42

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
SCHEMBL13029661 0.98 HDAC2 (0.54) HDAC2ERN1GSK3BLTA4HCYP17A1
SCHEMBL29898509 0.89 HDAC2 (0.48) HDAC2ERN1GSK3BLTA4HCYP17A1
SCHEMBL28402564 0.89 HDAC2 (0.51) HDAC2ERN1GSK3BLTA4HCYP17A1
SCHEMBL12984926 0.89 HDAC2 (0.48) HDAC2ERN1GSK3BLTA4HCYP17A1
SCHEMBL29898510 0.89 HDAC2 (0.48) HDAC2ERN1GSK3BLTA4HCYP17A1
SCHEMBL13790222 0.83 HDAC2 (0.64) HDAC2ERN1GSK3BLTA4HCYP17A1
SCHEMBL3438289 0.82 ERN1 (0.54) HDAC2ERN1LTA4HCYP17A1CYP11B1
SCHEMBL30541237 0.82 ERN1 (0.54) HDAC2ERN1LTA4HCYP17A1CYP11B1
SCHEMBL338810 0.82 LTA4H (0.70) HDAC2ERN1GSK3BLTA4HCYP17A1
SCHEMBL6874614 0.81 HDAC2 (0.58) HDAC2ERN1GSK3BLTA4HCYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111116545-A Erasable fluorescent material unlocked based on external stimulus 太原理工大学 2020-05-08 CN claimed
US-9539336-B2 Sialic acid derivatives BROSSMER REINHARD (DE) 2017-01-10 US claimed
EP-2863925-B1 SIALIC ACID DERIVATIVES BROSSMER REINHARD (DE) 2016-09-14 EP claimed
CN-103221436-B The approach of polyacrylic ester COLOPLAST A/S (DK) 2015-09-09 CN claimed
US-20150174262-A1 Sialic Acid Derivatives BROSSMER REINHARD (DE) 2015-06-25 US claimed
CN-103201295-B Novel polymeric photoinitiators COLOPLAST AS 2015-04-29 CN claimed
CN-103906750-A Novel chiral N-acyl-5, 6,7, (8-substituted) -tetrahydro- [1,2,4] triazolo [4,3-a ] pyrazines as selective NK-3 receptor antagonists, pharmaceutical compositions, methods for use in NK-3 receptor mediated diseases and chiral synthesis thereof EUROSCREEN SA 2014-07-02 CN claimed
CN-103221436-A New routes to polyacrylates COLOPLAST AS 2013-07-24 CN claimed
CN-103201295-A Novel polymeric photoinitiators COLOPLAST AS 2013-07-10 CN claimed
CN-102906093-A Novel nk-3 receptor selective antagonist compounds, pharmaceutical composition and methods for use in nk-3 receptors mediated disorders EUROSCREEN SA 2013-01-30 CN claimed
CN-100343256-C Biaryl substituted diazabicycloalkane amides as nicotinic acetylcholine agonists ASTRAZENECA AB (SE) 2007-10-17 CN claimed
CN-1678615-A Biaryl substituted diazabicycloalkanes as nicotinic acetylcholine antagonists ASTRAZENECA AB (SE) 2005-10-05 CN claimed
US-4582903-A Synthesis of unsaturated hydantoins with an inexpensive catalyst STAUFFER CHEMICAL COMPANY (US) 1986-04-15 US claimed
US-4345072-A Process for the production of 5-arylidene hydantoins (B) DEGUSSA AG (DE) 1982-08-17 US claimed
CN-115515685-B EIF4E inhibitors and uses thereof 皮克医疗公司 2025-04-08 CN disclosed
US-12157731-B2 EIF4E inhibitors and uses thereof PIC Therapeutics, Inc. (US) 2024-12-03 US disclosed
US-12006376-B2 Regioselectively substituted cellulose esters and films made therefrom EASTMAN CHEMICAL COMPANY (US) 2024-06-11 US disclosed
EP-0177072-A2 Preparation of amino acids from unsaturated hydantoins STAUFFER CHEMICAL COMPANY (US) 1986-04-09 EP disclosed
US-4345072-A Process for the production of 5-arylidene hydantoins (B) DEGUSSA AG (DE) 1982-08-17 US disclosed
US-3966801-A ANTIINFLAMMATORY AGENTS WILLIAM H. RORER, INC. (US) 1976-06-29 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 (2 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-12157731-B2 EIF4E inhibitors and uses thereof EIF4E, EIF4EBP1, EIF4A1 HDAC2 1558/4885ERN1 76/4885GSK3B 1092/4885
US-20150174262-A1 Sialic Acid Derivatives NEU1, SIGLEC9, SIGLEC7 HDAC2 2298/4885ERN1 1413/4885GSK3B 4549/4885

“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.