SCHEMBL5122944

SCHEMBL5122944

CCOC(=O)C1CCN(c2ccc3c(N)c(Cl)ccc3n2)CC1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SHMT2 P34897 2/20 0.62
▸ MAPT P10636 2/20 0.53
▸ ALDH1A1 P00352 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ LGMN Q99538 2/20 0.49
▸ NPC1 O15118 1/20 0.48
▸ TLR9 Q9NR96 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ TP53 P04637 1/20 0.46
▸ PTPN11 Q06124 1/20 0.45
▸ BLM P54132 1/20 0.44
▸ VCAM1 P19320 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ RAB9A P51151 1/20 0.43

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
SCHEMBL3837455 0.88 SHMT2 (0.59) SHMT2MAPTALDH1A1KMT2AMEN1
SCHEMBL3837306 0.84 LMNA (0.53) SHMT2KDM4ETSHRHTTGAA
SCHEMBL31557346 0.82 MAPT (0.58) SHMT2MAPTALDH1A1KMT2AMEN1
SCHEMBL3840918 0.80 P2RX7 (0.52) SHMT2MAPTALDH1A1KMT2AMEN1
SCHEMBL3838814 0.79 P2RX7 (0.62) SHMT2
SCHEMBL5122223 0.78 P2RX7 (0.49) SHMT2MAPTKMT2AMEN1BLM
SCHEMBL5121876 0.78 MAPT (0.51) SHMT2MAPTALDH1A1KMT2AMEN1
SCHEMBL5128913 0.78 P2RX7 (0.49) SHMT2MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL3837434 0.78 P2RX7 (0.52) SHMT2MAPT
SCHEMBL5125855 0.78 P2RX7 (0.48) SHMT2MAPTALDH1A1KMT2AMEN1

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-20080058293-A1 Quinoline Derivates and Their Use in Therapy ASTRAZENECA AB (SE) 2008-03-06 — — US disclosed
EP-1651610-A1 QUINOLINE DERIVATES AND THEIR USE IN THERAPY AstraZeneca AB (SE) 2006-05-03 — — EP disclosed
WO-2005009968-A1 QUINOLINE DERIVATES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2005-02-03 — — 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-20080058293-A1 Quinoline Derivates and Their Use in Therapy NQO2, RECQL, CHRM1 SHMT2 1950/4885MAPT 1761/4885ALDH1A1 985/4885

“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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