SCHEMBL3360950

SCHEMBL3360950

Nc1ccc(S)cc1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.63
KMT2A Q03164 4/20 0.63
GFER P55789 1/20 0.63
RXFP1 Q9HBX9 1/20 0.63
MAPT P10636 5/20 0.61
TDP1 Q9NUW8 4/20 0.61
MEN1 O00255 3/20 0.61
THRB P10828 3/20 0.61
MCL1 Q07820 2/20 0.61
RECQL P46063 2/20 0.61
USP2 O75604 1/20 0.61
POLB P06746 1/20 0.61
PKM P14618 1/20 0.61
APEX1 P27695 1/20 0.61
BLM P54132 1/20 0.61
GLA P06280 1/20 0.59
KEAP1 Q14145 1/20 0.59
ALDH1A1 P00352 6/20 0.57
CDC25B P30305 1/20 0.57
CASP6 P55212 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
SCHEMBL9174867 0.84 ALDH1A1 (0.55) KDM4EKMT2AGFERRXFP1MAPT
SCHEMBL13537217 0.81 KDM4E (0.41) KDM4EKMT2AGFERRXFP1MAPT
SCHEMBL1431441 0.79 ALDH1A1 (0.48) KDM4EKMT2AMAPTTDP1MEN1
SCHEMBL21277619 0.78 KDM4E (0.63) KDM4EKMT2AGFERRXFP1MAPT
SCHEMBL27793256 0.77 ALDH1A1 (0.46) KDM4EKMT2AMAPTTDP1MEN1
SCHEMBL28640055 0.77 MAPT (0.54) KDM4EKMT2AGFERRXFP1MAPT
SCHEMBL107833 0.77 KMT2A (0.95) KDM4EKMT2AGFERRXFP1MAPT
SCHEMBL352643 0.77 KMT2A (1.00) KDM4EKMT2AGFERRXFP1MAPT
SCHEMBL29498389 0.77 KMT2A (1.00) KDM4EKMT2AGFERRXFP1MAPT
SCHEMBL1954450 0.77 KMT2A (1.00) KDM4EKMT2AGFERRXFP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111195241-A Folic acid modified starch microcapsule with reduction responsiveness and preparation method thereof 黄冈华阳药业有限公司 2020-05-26 CN claimed
CN-105326810-A Folic acid modified chitosan micro-capsule with reducing responsiveness and preparation method thereof UNIV JILIN 2016-02-17 CN claimed
CN-105310998-A Microcapsule containing functionalized graphene in capsule wall and preparation method of microcapsule UNIV JILIN 2016-02-10 CN claimed
CN-103739533-A Method for preparing 2-amido-5-thiobenzoic acid UNIV TAIYUAN TECHNOLOGY 2014-04-23 CN claimed
EP-0170838-B1 REACTIVE DYES OF THE DIOXAZINE-TYPE, THEIR PREPARATION AND USE BAYER AG (DE) 1989-07-12 EP claimed
US-20220380339-A1 COMPOUNDS AS NEURONAL HISTAMINE RECEPTOR-3 ANTAGONISTS AND USES THEREOF XWPharma Ltd. (KY) 2022-12-01 US disclosed
US-20210188808-A1 COMPOUNDS AS NEURONAL HISTAMINE RECEPTOR-3 ANTAGONISTS AND USES THEREOF XWPharma Ltd. (KY) 2021-06-24 US disclosed
US-10968202-B2 Compounds as neuronal histamine receptor-3 antagonists and uses thereof XW LABORATORIES INC. (KY) 2021-04-06 US disclosed
US-20200369645-A1 COMPOUNDS AS NEURONAL HISTAMINE RECEPTOR-3 ANTAGONISTS AND USES THEREOF XWPharma Ltd. (KY) 2020-11-26 US disclosed
US-10730853-B2 Compounds as neuronal histamine receptor-3 antagonists and uses thereof XW LABORATORIES INC. (KY) 2020-08-04 US disclosed
US-20200181112-A1 COMPOUNDS AS NEURONAL HISTAMINE RECEPTOR-3 ANTAGONISTS AND USES THEREOF XWPharma Ltd. (KY) 2020-06-11 US disclosed
CN-111195241-A Folic acid modified starch microcapsule with reduction responsiveness and preparation method thereof 黄冈华阳药业有限公司 2020-05-26 CN disclosed
WO-2005064008-A9 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES INC (US) 2006-09-28 WO disclosed
US-20050239054-A1 Method and compositions for identifying anti-HIV therapeutic compounds GILEAD SCIENCES. INC. 2005-10-27 US disclosed
US-20050209197-A1 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. 2005-09-22 US disclosed
WO-2005064008-A1 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-07-14 WO disclosed
EP-1509537-A2 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES, INC. (US) 2005-03-02 EP disclosed
WO-2003090690-A2 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES, INC. (US) 2003-11-06 WO disclosed
US-5409916-A Brilliant violet shades; free of heavy metals HOECHST CELANESE CORPORATION (US) 1995-04-25 US disclosed
WO-1994029283-A1 FIBER REACTIVE ANTHRAQUINONE DYES HOECHST CELANESE CORPORATION (US) 1994-12-22 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 (8 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-20220380339-A1 COMPOUNDS AS NEURONAL HISTAMINE RECEPTOR-3 ANTAGONISTS AND USES THEREOF HRH3, HRH4, HRH2 KDM4E 2022/4885KMT2A 691/4885GFER 627/4885
US-20200181112-A1 COMPOUNDS AS NEURONAL HISTAMINE RECEPTOR-3 ANTAGONISTS AND USES THEREOF HRH3, HRH4, HRH2 KDM4E 2153/4885KMT2A 621/4885GFER 988/4885
US-10968202-B2 Compounds as neuronal histamine receptor-3 antagonists and uses thereof HRH3, HRH4, HRH2 KDM4E 2153/4885KMT2A 621/4885GFER 988/4885
US-20200369645-A1 COMPOUNDS AS NEURONAL HISTAMINE RECEPTOR-3 ANTAGONISTS AND USES THEREOF HRH3, HRH4, HRH2 KDM4E 2153/4885KMT2A 621/4885GFER 988/4885
US-20210188808-A1 COMPOUNDS AS NEURONAL HISTAMINE RECEPTOR-3 ANTAGONISTS AND USES THEREOF HRH3, HRH4, HRH2 KDM4E 2153/4885KMT2A 621/4885GFER 988/4885
US-20050209197-A1 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds PPA1, PPME1, PNP KDM4E 3407/4885KMT2A 3702/4885GFER 3568/4885
US-20050239054-A1 Method and compositions for identifying anti-HIV therapeutic compounds CES1, PNP, PGLS KDM4E 1006/4885KMT2A 4457/4885GFER 1235/4885
US-10730853-B2 Compounds as neuronal histamine receptor-3 antagonists and uses thereof HRH3, HRH4, HRH2 KDM4E 2153/4885KMT2A 621/4885GFER 988/4885

“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.