SCHEMBL1900238

SCHEMBL1900238

O=C(NCc1ccccc1)c1cc[c]cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.67
HDAC2 Q92769 3/20 0.67
HDAC8 Q9BY41 3/20 0.67
HPGD P15428 1/20 0.63
LMNA P02545 1/20 0.61
RAB9A P51151 1/20 0.61
HDAC1 Q13547 3/20 0.60
APOBEC3A P31941 1/20 0.59
CTDSP1 Q9GZU7 1/20 0.59
APOBEC3G Q9HC16 1/20 0.59
ROCK2 O75116 1/20 0.58
RPS6KA5 O75582 1/20 0.58
MAP4K4 O95819 1/20 0.58
PRKCG P05129 1/20 0.58
PRKACA P17612 1/20 0.58
RPS6KB1 P23443 1/20 0.58
MAPK1 P28482 1/20 0.58
AKT1 P31749 1/20 0.58
GSK3A P49840 1/20 0.58
GSK3B P49841 1/20 0.58

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
SCHEMBL4573606 0.93 HDAC6 (0.65) HDAC6HDAC2HDAC8HPGDLMNA
SCHEMBL11900090 0.87 HDAC6 (0.85) HDAC6HDAC2HDAC8HPGDLMNA
SCHEMBL457082 0.87 HDAC6 (0.79) HDAC6HDAC2HDAC8HPGDLMNA
SCHEMBL29184442 0.85 HDAC6 (0.76) HDAC6HDAC2HDAC8HPGDLMNA
Hydrochloric Acid SCHEMBL3757721 0.85 HDAC6 (0.76) HDAC6HDAC2HDAC8HPGDLMNA
SCHEMBL20538761 0.84 NR1H4 (0.64) HDAC6HDAC2HDAC8HPGDLMNA
SCHEMBL3204763 0.83 MMP13 (0.63) LMNAROCK2RPS6KA5MAP4K4PRKCG
SCHEMBL14797288 0.83 L3MBTL1 (0.67) LMNAEPHX2POLBRECQL
SCHEMBL2118595 0.83 HDAC2 (0.69) HDAC6HDAC2HDAC8RAB9AHDAC1
SCHEMBL29151912 0.81 HDAC6 (0.71) HDAC6HDAC2HDAC8HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115477595-A Galanthamine intermediate compound 山东新时代药业有限公司 2022-12-16 CN claimed
EP-1140895-B1 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO (JP) 2004-03-24 EP claimed
US-20030236257-A1 Polycyclic aryl and heteroaryl substituted 4-pyridones useful for selective inhibition of the cogulation cascade PHARMACIA CORPORATION 2003-12-25 US claimed
WO-2003018019-A2 NEW USE OF CYCLIC COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-06 WO claimed
EP-1140895-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP claimed
WO-2000040576-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-13 WO claimed
EP-0830349-B1 METHOD FOR PREPARING N, N'-DISUBSTITUED CYCLIC UREAS DU PONT PHARM CO (US) 2000-03-22 EP claimed
US-5877312-A Method for preparing alkylating agents for their use for alkylating cyclic ureas DUPONT PHARMACEUTICALS COMPANY (US) 1999-03-02 US claimed
EP-0830349-A1 METHOD FOR PREPARING N, N'-DISUBSTITUED CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-03-25 EP claimed
US-5637780-A Method for preparing alkylating agents and their use for alkylating cyclic ureas THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-06-10 US claimed
EP-0767770-A1 METHOD FOR PREPARING ALKYLATING AGENTS AND THEIR USE FOR ALKYLATING CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-04-16 EP claimed
WO-1996039393-A1 METHOD FOR PREPARING N, N'-DISUBSTITUED CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-12 WO claimed
WO-1996000708-A1 METHOD FOR PREPARING ALKYLATING AGENTS AND THEIR USE FOR ALKYLATING CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-01-11 WO claimed
US-20230157996-A1 SMALL-MOLECULE INHIBITOR TARGETING EB VIRUS NUCLEAR ANTIGEN PROTEIN, PREPARATION METHOD AND USE THEREOF Shenzhen Bay Laboratory (CN) 2023-05-25 US disclosed
EP-4151621-A1 SMALL-MOLECULE INHIBITOR TARGETING EB VIRUS NUCLEAR ANTIGEN PROTEIN, PREPARATION METHOD THEREFOR AND USE THEREOF Shenzhen Bay Laboratory (CN) 2023-03-22 EP disclosed
CN-115477595-A Galanthamine intermediate compound 山东新时代药业有限公司 2022-12-16 CN disclosed
EP-0767770-A1 METHOD FOR PREPARING ALKYLATING AGENTS AND THEIR USE FOR ALKYLATING CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-04-16 EP disclosed
WO-1996039393-A1 METHOD FOR PREPARING N, N'-DISUBSTITUED CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-12 WO disclosed
US-5532356-A Method for preparing N,N'-disubstituted cyclic ureas THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-07-02 US disclosed
WO-1996000708-A1 METHOD FOR PREPARING ALKYLATING AGENTS AND THEIR USE FOR ALKYLATING CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-01-11 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 (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-20230157996-A1 SMALL-MOLECULE INHIBITOR TARGETING EB VIRUS NUCLEAR ANTIGEN PROTEIN, PREPARATION METHOD AND USE THEREOF SSB, EBNA1BP2, PML HDAC6 1179/4885HDAC2 576/4885HDAC8 186/4885
US-20030236257-A1 Polycyclic aryl and heteroaryl substituted 4-pyridones useful for selective inhibition of the cogulation cascade PLG, TFPI, PLAT HDAC6 3359/4885HDAC2 1538/4885HDAC8 2323/4885

“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.