SCHEMBL1707104

SCHEMBL1707104

CON(C)C(=O)Cc1ccc(F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 3/20 0.46
▸ MAOB P27338 1/20 0.43
▸ IDO1 P14902 2/20 0.41
▸ AGXT P21549 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ BACE1 P56817 1/20 0.40
▸ P2RX7 Q99572 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ POLQ O75417 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPK8 P45983 1/20 0.39
▸ HTR2A P28223 1/20 0.38
▸ TAS2R14 Q9NYV8 1/20 0.37
▸ TRPM8 Q7Z2W7 1/20 0.37

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
SCHEMBL17157335 0.85 MAOB (0.45) RIPK1MAOBIDO1AGXTALDH1A1
SCHEMBL22235800 0.85 PYCR1 (0.43) TDP1P2RX7
SCHEMBL31173162 0.85 PYCR1 (0.43) TDP1P2RX7
SCHEMBL19030893 0.85 POLQ (0.43) ALDH1A1POLQKDM4EHTR2A
SCHEMBL8572100 0.83 RIPK1 (0.50) RIPK1MAOBIDO1AGXTALDH1A1
SCHEMBL15271084 0.81 RIPK1 (0.49) RIPK1TRPM8
SCHEMBL1668464 0.81 ALDH1A1 (0.45) RIPK1MAOBALDH1A1POLQKDM4E
SCHEMBL1399311 0.77 TDP1 (0.56) ALDH1A1TDP1HTTKDM4E
SCHEMBL3967997 0.77 SMN1; SMN2 (0.48) RIPK1MAOBIDO1AGXTALDH1A1
SCHEMBL29836179 0.77 SMN1; SMN2 (0.48) RIPK1MAOBIDO1AGXTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1981877-B1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC (JP) 2012-04-18 — — EP disclosed
US-7750155-B2 Pyrazinyl hydroxyacrylamide compounds having an inhibitory effect on the activity of histone deacetylase ASTELLAS PHARMA INC. (JP) 2010-07-06 — — US disclosed
US-20090215817-A1 Novel Triazolopyridine Compounds for the Treatment of Inflammation PFIZER INC 2009-08-27 — — US disclosed
US-20090209577-A1 Novel Triazolopyridine Compounds PFIZER INC. (US) 2009-08-20 — — US disclosed
US-20090054465-A1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLA PHARMA INC. (JP) 2009-02-26 — — US disclosed
EP-1981877-A1 N-HYDROXYACRYLAMIDE COMPOUNDS Astellas Pharma Inc. (JP) 2008-10-22 — — EP disclosed
WO-2007091703-A1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2007-08-16 — — WO disclosed
EP-1786811-A2 TRIAZOLOPYRIDINE COMPOUNDS Pharmacia & Upjohn Company LLC (US) 2007-05-23 — — EP disclosed
EP-1781655-A2 TRIAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATION Pharmacia & Upjohn Company LLC (US) 2007-05-09 — — EP disclosed
WO-2006018735-A2 TRIAZOLOPYRIDINE COMPOUNDS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-02-23 — — WO disclosed
WO-2006018727-A2 TRIAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATION PHARMACIA & UPJOHN COMPANY LLC (US) 2006-02-23 — — 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 (3 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-20090054465-A1 N-HYDROXYACRYLAMIDE COMPOUNDS HDAC1, HDAC6, HDAC5 RIPK1 4361/4885MAOB 1645/4885IDO1 2064/4885
US-20090209577-A1 Novel Triazolopyridine Compounds MAP3K2, MAP3K5, MAP3K9 RIPK1 526/4885MAOB 1008/4885IDO1 1182/4885
US-20090215817-A1 Novel Triazolopyridine Compounds for the Treatment of Inflammation TNF, MAP3K2, MAP3K5 RIPK1 436/4885MAOB 1395/4885IDO1 741/4885

“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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