SCHEMBL5014189

SCHEMBL5014189

CC(=O)c1nc(-c2ccccc2)n(C2CCCCC2)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
ALOX15 P16050 1/20 0.44
MEN1 O00255 3/20 0.41
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 3/20 0.41
CNR1 P21554 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ADRB2 P07550 1/20 0.40
OGFRL1 Q5TC84 2/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
STAT3 P40763 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC1 Q13547 1/20 0.39

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
SCHEMBL5013554 0.77 GAA (0.42) GAAALOX15MEN1ALDH1A1KMT2A
SCHEMBL4294427 0.72 OGFRL1 (0.48) GAAALOX15MEN1ALDH1A1KMT2A
SCHEMBL5014105 0.72 GAA (0.42) GAAALOX15MEN1ALDH1A1KMT2A
SCHEMBL4739120 0.70 MAPT (0.49) GAAALOX15MEN1ALDH1A1KMT2A
SCHEMBL4281769 0.70 OGFRL1 (0.53) GAAMEN1ALDH1A1KMT2AOGFRL1
SCHEMBL5015627 0.69 GAA (0.40) GAAALOX15MEN1ALDH1A1KMT2A
SCHEMBL28236159 0.69 CYP11B2 (0.63) GAAALOX15OGFRL1OPRM1OPRD1
SCHEMBL5014017 0.68 HDAC1 (0.43) GAAALOX15ALDH1A1L3MBTL1OGFRL1
SCHEMBL5012191 0.68 HDAC1 (0.43) GAAALOX15L3MBTL1OGFRL1OPRM1
SCHEMBL12759851 0.67 ALOX15 (0.44) GAAALOX15MEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080249146-A1 Imidazole and Thioazole Derivatives as Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2008-10-09 US disclosed
EP-1773331-A1 IMIDAZOLE AND THIAZOLE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2007-04-18 EP disclosed
WO-2006008556-A1 IMIDAZOLE AND THIAZOLE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2006-01-26 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 (1 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-20080249146-A1 Imidazole and Thioazole Derivatives as Antiviral Agents IRF3, HAVCR2, ZC3HAV1 GAA 997/4885ALOX15 4453/4885MEN1 4567/4885

“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.