SCHEMBL825570

SCHEMBL825570

CCC(C)c1cccc(C#N)c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
S1PR1 P21453 2/20 0.47
CNR1 P21554 16/20 0.45
CNR2 P34972 13/20 0.45
GLA P06280 1/20 0.45

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
SCHEMBL18970401 0.86 S1PR1 (0.45) S1PR1CNR1CNR2GLA
SCHEMBL13159690 0.84 S1PR1 (0.47) S1PR1CNR1CNR2GLA
SCHEMBL12302870 0.84 CNR1 (0.44) S1PR1CNR1CNR2GLA
SCHEMBL25853587 0.84 S1PR1 (0.47) S1PR1CNR1CNR2GLA
SCHEMBL12488294 0.83 S1PR1 (0.45) S1PR1CNR1CNR2GLA
SCHEMBL22432045 0.83 CNR1 (0.46) S1PR1CNR1CNR2GLA
SCHEMBL5545605 0.82 CNR1 (0.43) S1PR1CNR1CNR2GLA
SCHEMBL20878279 0.82 CNR1 (0.44) S1PR1CNR1CNR2GLA
SCHEMBL18896215 0.82 S1PR1 (0.45) S1PR1CNR1CNR2GLA
SCHEMBL19223931 0.82 CNR1 (0.45) S1PR1CNR1CNR2GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3686197-B1 2-SUBSTITUTED PYRAZOLE AMINO-4-SUBSTITUTED AMINO-5-PYRIMIDINE FORMAMIDE COMPOUND, COMPOSITION, AND APPLICATION THEREOF BEIJING SCITECH MQ PHARMACEUTICALS LTD (CN) 2023-06-21 EP disclosed
US-11643388-B2 Inhibitors of alpha 2 beta 1 integrin and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-05-09 US disclosed
US-20230043959-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS INCYTE CORPORATION 2023-02-09 US disclosed
US-20210395228-A1 PESTICIDALLY ACTIVE BENZENE- AND AZINE-AMIDE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-12-23 US disclosed
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2021-07-08 US disclosed
EP-3686197-A1 2-SUBSTITUTED PYRAZOLE AMINO-4-SUBSTITUTED AMINO-5-PYRIMIDINE FORMAMIDE COMPOUND, COMPOSITION, AND APPLICATION THEREOF Beijing Scitech-MQ Pharmaceuticals Limited (CN) 2020-07-29 EP disclosed
US-10710995-B2 Inhibitors of β-hydroxylase for treatment of cancer RHODE ISLAND HOSPITAL (US) 2020-07-14 US disclosed
US-10695337-B2 Piperidin-4-yl azetidine derivatives as JAK1 inhibitors INCYTE HOLDINGS CORPORATION (US) 2020-06-30 US disclosed
US-10647699-B2 Substituted 2-oxyimidazolylcarboxamides as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-05-12 US disclosed
US-20200115356-A1 Modulation of Bacterial Quorum Sensing With Synthetic Ligands WISCONSIN ALUMNI RESEARCH FOUNDATION 2020-04-16 US disclosed
US-20080096134-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2008-04-24 US disclosed
US-20080081289-A1 RESIST COMPOSITION AND PATTERN FORMING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2008-04-03 US disclosed
US-20080081292-A1 RESIST COMPOSITION AND PATTERN FORMING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2008-04-03 US disclosed
US-20080076062-A1 RESIST COMPOSITION AND PATTERN-FORMING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2008-03-27 US disclosed
US-20080050675-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2008-02-28 US disclosed
US-20070224539-A1 Resist composition and pattern forming method using the same FUJIFILM CORPORATION (JP) 2007-09-27 US disclosed
US-20070218406-A1 Acid generator; exposure to actinic radiation FUJIFILM CORPORATION (JP) 2007-09-20 US disclosed
US-20070218407-A1 Positive resist composition and pattern forming method using the same FUJIFILM CORPORATION (JP) 2007-09-20 US disclosed
WO-2007062308-A2 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO disclosed
US-20070072121-A1 Positive resist composition and pattern forming method using the same FUJI PHOTO FILM CO., LTD. 2007-03-29 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 (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-11643388-B2 Inhibitors of alpha 2 beta 1 integrin and methods of use thereof ITGB1, ITGB2, ITGA2 HDAC4 1452/4885HDAC2 553/4885HDAC8 1379/4885
US-20200115356-A1 Modulation of Bacterial Quorum Sensing With Synthetic Ligands AHCYL1, EBPL, AIP HDAC4 3532/4885HDAC2 4503/4885HDAC8 3762/4885
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A HDAC4 701/4885HDAC2 576/4885HDAC8 1335/4885
US-10647699-B2 Substituted 2-oxyimidazolylcarboxamides as pesticides DDT, PRXL2A, TSNAX HDAC4 1797/4885HDAC2 590/4885HDAC8 2044/4885
US-20210395228-A1 PESTICIDALLY ACTIVE BENZENE- AND AZINE-AMIDE COMPOUNDS DDT, ACHE, NAT1 HDAC4 1493/4885HDAC2 1044/4885HDAC8 660/4885
US-10710995-B2 Inhibitors of β-hydroxylase for treatment of cancer ASPH, CYP46A1, AHR HDAC4 473/4885HDAC2 357/4885HDAC8 577/4885
US-20230043959-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS JAK1, JAK2, JAK3 HDAC4 1590/4885HDAC2 1269/4885HDAC8 2336/4885
US-10695337-B2 Piperidin-4-yl azetidine derivatives as JAK1 inhibitors JAK1, JAK2, JAK3 HDAC4 1067/4885HDAC2 934/4885HDAC8 1653/4885

“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.