SCHEMBL5227754

SCHEMBL5227754

c1ccc2nc(OCC3CO3)cnc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.50
▸ KMT2A Q03164 5/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ HTT P42858 8/20 0.47
▸ ALDH1A1 P00352 7/20 0.47
▸ GLA P06280 1/20 0.46
▸ TP53 P04637 3/20 0.45
▸ TSHR P16473 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ HIF1A Q16665 2/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ RAB9A P51151 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ ATM Q13315 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ PDE10A Q9Y233 1/20 0.41

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
SCHEMBL6605168 0.81 MEN1 (0.51) MEN1KMT2ATDP1HTTALDH1A1
SCHEMBL27131034 0.75 TDP1 (0.60) MEN1KMT2ATDP1ALDH1A1GLA
SCHEMBL6988370 0.73 TDP1 (0.56) MEN1KMT2ATDP1ALDH1A1GLA
SCHEMBL6988371 0.73 TDP1 (0.56) MEN1KMT2ATDP1ALDH1A1GLA
SCHEMBL31677377 0.73 TDP1 (0.56) MEN1KMT2ATDP1ALDH1A1GLA
SCHEMBL5229059 0.72 PTGS1 (0.50) MEN1KMT2ATDP1HTTALDH1A1
SCHEMBL23229125 0.72 ALDH1A1 (0.64) MEN1KMT2AHTTALDH1A1SMN1; SMN2
SCHEMBL19068516 0.71 MCHR1 (0.47) MEN1KMT2AHTTALDH1A1SMN1; SMN2
SCHEMBL11030583 0.70 HTT (0.77) MEN1KMT2AHTTALDH1A1GLA
SCHEMBL7977360 0.70 TDP1 (0.49) MEN1KMT2ATDP1ALDH1A1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1339701-B1 HETEROARYL ALKYL PIPERAZINE DERIVATIVES AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS INC (US) 2007-02-14 — — EP disclosed
US-6849632-B2 Heteroaryl alkyl piperazine derivatives CV THERAPEUTICS, INC. (US) 2005-02-01 — — US disclosed
US-20040192702-A1 Heteroaryl alkyl piperazine derivatives ZABLOCKI JEFF (US) 2004-09-30 — — US disclosed
US-20040029889-A1 Heteroaryl alkyl piperazine derivatives as fatty acid oxidation inhibitors CV THERAPEUTICS, INC. 2004-02-12 — — US disclosed
US-20030216409-A1 Heteroaryl alkyl piperazine derivatives CV THERAPEUTICS, INC. 2003-11-20 — — US disclosed
EP-1339701-A1 HETEROARYL ALKYL PIPERAZINE DERIVATIVES AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2003-09-03 — — EP disclosed
US-6573264-B1 Protecting skeletal muscles against damage, treating shock conditions, preserving donor tissue and organs used in transplants, treating cardiovascular diseases CV THERAPEUTICS, INC. 2003-06-03 — — US disclosed
WO-2002064576-A1 HETEROARYL ALKYL PIPERAZINE DERIVATIVES AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2002-08-22 — — 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 (3 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-20040029889-A1 Heteroaryl alkyl piperazine derivatives as fatty acid oxidation inhibitors CPT1B, CPT1A, ALOX15 MEN1 4851/4885KMT2A 3849/4885TDP1 3372/4885
US-20040192702-A1 Heteroaryl alkyl piperazine derivatives ATP2A1, CPT1B, ATP2A3 MEN1 4701/4885KMT2A 3805/4885TDP1 3584/4885
US-20030216409-A1 Heteroaryl alkyl piperazine derivatives ATP2A1, CPT1B, ATP2A3 MEN1 4701/4885KMT2A 3805/4885TDP1 3584/4885

“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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