SCHEMBL8357983

SCHEMBL8357983

Cc1ccc(N2CCC=C(N3CCCC3)C2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.41
▸ MEN1 O00255 5/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ MAPT P10636 4/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ DRD2 P14416 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ NPC1 O15118 5/20 0.39
▸ RAB9A P51151 5/20 0.39
▸ PKM P14618 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MCL1 Q07820 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ DGAT1 O75907 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CASP1 P29466 1/20 0.36

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
SCHEMBL8360878 0.98 DRD2 (0.43) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL17576245 0.87 AKR1C3 (0.44) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL5441070 0.84 MEN1 (0.36) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL5447292 0.83 MEN1 (0.38) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL20050092 0.81 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL17205684 0.76 HPGD (0.48) ALDH1A1MEN1KMT2AL3MBTL1TSHR
SCHEMBL17205569 0.76 MAPT (0.56) ALDH1A1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL19185131 0.76 NPC1 (0.41) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL5444324 0.74 ALDH1A1 (0.48) ALDH1A1KMT2AL3MBTL1KDM4ETSHR
SCHEMBL15731795 0.73 PIK3R1 (0.39) ALDH1A1MEN1KMT2AMAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070027186-A1 SYNTHESIS OF 4,5-DIHYDRO-PYRAZOLO[3,4-C]PYRID-2-ONES BRISTOL-MYERS SQUIBB COMPANY 2007-02-01 — — US disclosed
WO-2003049681-A2 SYNTHESIS OF 4,5-DIHYDRO-PYRAZOLO [3,4-C] PYRID-2-ONES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-06-19 — — 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-20070027186-A1 SYNTHESIS OF 4,5-DIHYDRO-PYRAZOLO[3,4-C]PYRID-2-ONES F2, TFPI, TFPI2 ALDH1A1 1809/4885MEN1 2495/4885KMT2A 2398/4885

“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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