SCHEMBL8239082

SCHEMBL8239082

CCC(=O)c1ccccc1C#N

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.52
GAA P10253 3/20 0.43
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 1/20 0.43
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 1/20 0.40
PPIA P62937 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NLRP3 Q96P20 1/20 0.40

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
SCHEMBL29777919 1.00 TSHR (0.52) TSHRGAAALDH1A1L3MBTL1POLB
SCHEMBL97143 0.82 L3MBTL1 (0.41) TSHRALDH1A1L3MBTL1POLBNPC1
SCHEMBL30350086 0.82 TSHR (0.57) TSHRGAAALDH1A1L3MBTL1POLB
SCHEMBL27569619 0.82 TSHR (0.45) TSHRGAAALDH1A1L3MBTL1POLB
SCHEMBL26599066 0.82 TSHR (0.45) TSHRGAAALDH1A1L3MBTL1POLB
SCHEMBL8462996 0.82 TSHR (0.57) TSHRGAAALDH1A1L3MBTL1POLB
SCHEMBL392810 0.81 PTPN1 (0.50) TSHRGAAPOLBLMNAPPIA
SCHEMBL27576279 0.81 MAPT (0.42) TSHRGAAALDH1A1POLBNPC1
SCHEMBL26849710 0.81 L3MBTL1 (0.40) TSHRALDH1A1L3MBTL1NPC1MAPT
SCHEMBL13647212 0.80 MAPK1 (0.46) TSHRGAAALDH1A1L3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114773293-A Tetrahydroindenone-isoselenazole derivative and synthesis method and application thereof 华东师范大学 2022-07-22 CN disclosed
WO-2017103188-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2017-06-22 WO disclosed
US-7601728-B2 Bicyclic pyrrole derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-10-13 US disclosed
US-20090192129-A1 BICYCLIC PYRROLE DERIVATIVES DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-07-30 US disclosed
US-20090192138-A1 COMPOUNDS BAESCHLIN DANIEL KASPAR 2009-07-30 US disclosed
US-20090149483-A1 BICYCLIC PYRROLE DERIVATIVES DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-06-11 US disclosed
US-20080318922-A1 Bicyclic Pyrrole Derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-12-25 US disclosed
WO-2007071738-A1 CONDENSED HETEROCYCLIC COMPOUNDS USEFUL AS DPP-IV INHIBITORS NOVARTIS AG (CH) 2007-06-28 WO disclosed
US-20070105890-A1 Novel condensed imidazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD 2007-05-10 US disclosed
CN-1555365-A N-aminoimidazole derivative for inhibiting HIV ³�������̴�ѧ�о������� 2004-12-15 CN 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-20070105890-A1 Novel condensed imidazole derivative DPP4, DPP7, DPP3 TSHR 862/4885GAA 833/4885ALDH1A1 63/4885
US-20080318922-A1 Bicyclic Pyrrole Derivatives DPP4, DPP7, DPP3 TSHR 451/4885GAA 1148/4885ALDH1A1 62/4885
US-20090192129-A1 BICYCLIC PYRROLE DERIVATIVES DPP4, DPP7, DPP3 TSHR 483/4885GAA 894/4885ALDH1A1 22/4885
US-20090149483-A1 BICYCLIC PYRROLE DERIVATIVES DPP4, DPP7, DPP3 TSHR 483/4885GAA 894/4885ALDH1A1 22/4885
US-20090192138-A1 COMPOUNDS DPP4, DPP3, DPP8 TSHR 1158/4885GAA 52/4885ALDH1A1 363/4885

“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.