SCHEMBL4616925

SCHEMBL4616925

O=C1C=CC(c2ccccc2)N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS2 Q9H2K2 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ MAPT P10636 4/20 0.35
▸ LMNA P02545 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ GFER P55789 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ CA2 P00918 2/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34

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
SCHEMBL12500983 0.71 DAO (0.38) MAPTKDM4E
SCHEMBL1594455 0.71 TNKS2 (0.35) TNKS2SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL8558204 0.71 MAPT (0.41) TNKS2KMT2AMEN1MAPTLMNA
SCHEMBL6256546 0.69 ALDH1A1 (0.31) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL19606308 0.68 BRD4 (0.36) SMN1; SMN2KMT2AMEN1LMNAALDH1A1
SCHEMBL28967201 0.65 DAO (0.35) KMT2AMEN1ALDH1A1ADORA3
SCHEMBL22686800 0.65 SMN1; SMN2 (0.37) TNKS2SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL15669988 0.64 SMN1; SMN2 (0.54) TNKS2SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL23895438 0.63 ALDH1A1 (0.44) KMT2AMEN1MAPTCYP1A2CYP3A4
SCHEMBL17642195 0.63 ALDH1A1 (0.37) ALDH1A1HPGDRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879885-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-Roche AG (CH) 2008-01-23 — — EP claimed
WO-2006117306-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-11-09 — — WO claimed
US-11975032-B2 Medicament for liver regeneration and for treatment of liver failure MEDIZINISCHE HOCHSCHULE HANNOVER (DE) 2024-05-07 — — US disclosed
US-6936633-B2 Pyrrolidinone derivatives UCB S.A. (BE) 2005-08-30 — — US disclosed
US-20050004180-A1 Pyrrolidinone derivatives USB S.A. (BE) 2005-01-06 — — 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 (2 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-11975032-B2 Medicament for liver regeneration and for treatment of liver failure PYGL, HNF4A, ATF1 TNKS2 3851/4885SMN1; SMN2 3176/4885KMT2A 2105/4885
US-20050004180-A1 Pyrrolidinone derivatives CCR2, CCR1, CCL2 TNKS2 2264/4885SMN1; SMN2 4049/4885KMT2A 3360/4885

“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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