SCHEMBL16107363

SCHEMBL16107363

CCOC(=O)c1ccccc1-c1ccc(OC)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.51
▸ CDC7 O00311 1/20 0.50
▸ DBF4 Q9UBU7 1/20 0.50
▸ PPARG P37231 4/20 0.49
▸ ALDH1A1 P00352 6/20 0.48
▸ HPGD P15428 4/20 0.48
▸ KDM4E B2RXH2 4/20 0.48
▸ ERN1 O75460 1/20 0.47
▸ LMNA P02545 3/20 0.47
▸ HTT P42858 3/20 0.47
▸ TP53 P04637 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ MAPT P10636 3/20 0.46
▸ MAOB P27338 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ HKDC1 Q2TB90 2/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46

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
SCHEMBL22030723 0.88 CNR1 (0.43) TSHRCDC7DBF4ALDH1A1HPGD
SCHEMBL1712444 0.85 TSHR (0.56) TSHRALDH1A1HPGDKDM4EERN1
SCHEMBL1712613 0.83 TSHR (0.53) TSHRCDC7DBF4ALDH1A1HPGD
SCHEMBL16107035 0.82 SMN1; SMN2 (0.53) HPGDKDM4ELMNATP53SMN1; SMN2
SCHEMBL7611832 0.82 PPARG (0.52) TSHRPPARGALDH1A1HPGDKDM4E
SCHEMBL3683272 0.80 TSHR (0.80) TSHRALDH1A1KDM4EERN1LMNA
SCHEMBL29617021 0.80 TSHR (0.80) TSHRALDH1A1KDM4EERN1LMNA
SCHEMBL5154594 0.79 ALDH1A1 (0.61) TSHRALDH1A1HPGDKDM4EERN1
SCHEMBL13776773 0.79 SLC6A2 (0.60) TSHRPPARGALDH1A1HPGDKDM4E
SCHEMBL7710797 0.78 ALDH1A1 (0.57) TSHRPPARGALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3805205-A1 PYRAZOLE-AMIDE COMPOUND AND MEDICINAL USES THEREFOR Japan Tobacco Inc. (JP) 2021-04-14 — — EP disclosed
US-20200163937-A1 PYRAZOLE-AMIDE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2020-05-28 — — US disclosed
US-20200163937-A1 PYRAZOLE-AMIDE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2020-05-28 — — US disclosed
US-20180256547-A1 PYRAZOLE-AMIDE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2018-09-13 — — US disclosed
EP-3348545-A1 PYRAZOLE-AMIDE COMPOUND AND MEDICINAL USES THEREFOR Japan Tobacco Inc. (JP) 2018-07-18 — — EP disclosed
EP-2975028-B1 PYRAZOLE-AMIDE COMPOUND AND MEDICINAL USES THEREFOR JAPAN TOBACCO INC (JP) 2018-02-21 — — EP disclosed
US-20160074364-A1 PYRAZOLE-AMIDE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2016-03-17 — — US disclosed
US-20160074364-A1 PYRAZOLE-AMIDE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2016-03-17 — — US disclosed
US-20160074364-A1 PYRAZOLE-AMIDE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2016-03-17 — — US disclosed
EP-2975028-A1 PYRAZOLE-AMIDE COMPOUND AND MEDICINAL USES THEREFOR Japan Tobacco, Inc. (JP) 2016-01-20 — — EP disclosed
US-9040717-B2 Pyrazole-amide compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2015-05-26 — — US disclosed
US-9040717-B2 Pyrazole-amide compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2015-05-26 — — US disclosed
US-9040717-B2 Pyrazole-amide compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2015-05-26 — — US disclosed
US-20150025120-A1 PYRAZOLE-ALCOHOL COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2015-01-22 — — US disclosed
US-20150025120-A1 PYRAZOLE-ALCOHOL COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2015-01-22 — — US disclosed
US-20150025120-A1 PYRAZOLE-ALCOHOL COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2015-01-22 — — US disclosed
US-20140296315-A1 PYRAZOLE-AMIDE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2014-10-02 — — US disclosed
US-20140296315-A1 PYRAZOLE-AMIDE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2014-10-02 — — US disclosed
US-20140296315-A1 PYRAZOLE-AMIDE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2014-10-02 — — 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 (5 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-20140296315-A1 PYRAZOLE-AMIDE COMPOUNDS AND PHARMACEUTICAL USE THEREOF NAT1, CYP2C19, CYP3A5 TSHR 1979/4885CDC7 4421/4885DBF4 4091/4885
US-20150025120-A1 PYRAZOLE-ALCOHOL COMPOUNDS AND PHARMACEUTICAL USE THEREOF ADH5, ADH1A, CYP3A43 TSHR 2319/4885CDC7 4253/4885DBF4 4369/4885
US-20180256547-A1 PYRAZOLE-AMIDE COMPOUNDS AND PHARMACEUTICAL USE THEREOF NAT1, CYP2C19, CYP3A5 TSHR 1979/4885CDC7 4421/4885DBF4 4091/4885
US-20160074364-A1 PYRAZOLE-AMIDE COMPOUNDS AND PHARMACEUTICAL USE THEREOF NAT1, CYP2C19, CYP3A5 TSHR 1979/4885CDC7 4421/4885DBF4 4091/4885
US-20200163937-A1 PYRAZOLE-AMIDE COMPOUNDS AND PHARMACEUTICAL USE THEREOF NAT1, CYP2C19, CYP3A5 TSHR 1979/4885CDC7 4421/4885DBF4 4091/4885

“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.

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