SCHEMBL1029530

SCHEMBL1029530

Cc1cc2oc(=O)n(C)c2cc1N

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ATAD2 Q6PL18 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ PKM P14618 8/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ POLB P06746 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ KMO O15229 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ USP2 O75604 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ GFER P55789 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
SCHEMBL1027492 0.93 ATAD2 (0.55) ATAD2ALDH1A1HPGDPKMKMT2A
SCHEMBL18306663 0.85 PKM (0.48) ALDH1A1HPGDPKMKMT2AMEN1
SCHEMBL31714335 0.84 ATAD2 (0.41) ATAD2ALDH1A1HPGDPKMKMT2A
SCHEMBL16362387 0.82 ALDH1A1 (0.41) ALDH1A1HPGDPKMKMT2AMEN1
SCHEMBL30881275 0.82 ALDH1A1 (0.41) ALDH1A1HPGDPKMKMT2AMEN1
SCHEMBL25105480 0.79 ALDH1A1 (0.44) ALDH1A1HPGDPKMKMT2AMEN1
SCHEMBL16361867 0.79 ALDH1A1 (0.41) ATAD2ALDH1A1HPGDPKMKMT2A
SCHEMBL31716739 0.78 ATAD2 (0.42) ATAD2KMT2AMEN1POLBTSHR
SCHEMBL1115715 0.77 PKM (0.41) ALDH1A1HPGDPKMKMT2AMEN1
SCHEMBL16362039 0.77 MAOB (0.42) ALDH1A1HPGDPKMKMT2AMEN1

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
US-8513235-B2 Homocysteine synthase inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-20 — — US disclosed
EP-2486925-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION Mitsubishi Tanabe Pharma Corporation (JP) 2012-08-15 — — EP disclosed
US-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-08-02 — — US disclosed
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 — — US disclosed
EP-2275404-A1 HOMOCYSTEINE SYNTHASE INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2011-01-19 — — EP 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-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION FABP7, TIMP3, MMP11 ATAD2 3912/4885ALDH1A1 180/4885HPGD 356/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 ATAD2 4173/4885ALDH1A1 600/4885HPGD 222/4885

“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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