SCHEMBL6768181

SCHEMBL6768181

Cc1ccc(NNc2ccccc2C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.48
TDP1 Q9NUW8 4/20 0.48
KDM4E B2RXH2 3/20 0.48
MAPT P10636 5/20 0.47
HPGD P15428 4/20 0.46
ALDH1A1 P00352 5/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
POLB P06746 1/20 0.46
HTT P42858 2/20 0.45
PTGS2 P35354 1/20 0.43
MEN1 O00255 2/20 0.41
LMNA P02545 2/20 0.41
KMT2A Q03164 2/20 0.41
EGFR P00533 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
CTSD P07339 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP1A2 P05177 1/20 0.39

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
SCHEMBL7869240 0.86 ALDH1A1 (0.57) GAATDP1KDM4EMAPTHPGD
SCHEMBL9355162 0.83 GAA (0.62) GAATDP1KDM4EMAPTHPGD
SCHEMBL3686455 0.80 GAA (0.64) GAATDP1MAPTHPGDNPC1
SCHEMBL21465958 0.79 HPGD (0.71) GAATDP1KDM4EMAPTHPGD
SCHEMBL2683360 0.78 TDP1 (0.57) GAATDP1KDM4EMAPTHPGD
Hydrochloric Acid SCHEMBL29106619 0.77 HPGD (0.68) GAATDP1KDM4EMAPTHPGD
SCHEMBL17536014 0.76 MAPT (0.50) GAATDP1MAPTHPGDALDH1A1
SCHEMBL7082949 0.75 PTGS2 (0.79) GAATDP1KDM4EMAPTHPGD
SCHEMBL9224278 0.75 ALDH1A1 (0.51) GAATDP1MAPTHPGDALDH1A1
SCHEMBL22043338 0.75 TDP1 (0.46) GAATDP1KDM4EMAPTALDH1A1

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
US-6677343-B2 USEFUL IN PROTECTING SKELETAL MUSCLES AGAINST DAMAGE RESULTING FROM TRAUMA OR TO PROTECT AGAINST LIMPING, TREATING SHOCK CONDITIONS, PRESERVE DONOR TISSUE AND ORGANS USED IN TRANSPLANTS, AND IN TREATING CARDIOVASCULAR DISEASES CV THERAPEUTICS, INC. 2004-01-13 US disclosed
US-20030064994-A1 Substituted alkyl piperazine derivatives CV THERAPEUTICS, INC. 2003-04-03 US disclosed
EP-1259493-A2 SUBSTITUTED PIPERAZINE COMPOUNDS CV THERAPEUTICS, INC. (US) 2002-11-27 EP disclosed
US-6451798-B2 PROTECTING SKELETAL MUSCLES AGAINST TRAUMA DAMAGE AND SUBSEQUENT TO DISEASE; TREATING SHOCK AND CARDIOVASCULAR DISEASES; PRESERVING DONOR TISSUE AND ORGANS USED IN TRANSPLANTS CV THERAPEUTICS, INC. 2002-09-17 US disclosed
US-20010047001-A1 Substituted alkyl piperazine derivatives CV THERAPEUTICS, INC. 2001-11-29 US disclosed
US-20010044541-A1 Substituted piperazine compounds GILEAD PALO ALTO, INC. 2001-11-22 US disclosed
WO-2001062744-A2 SUBSTITUTED PIPERAZINE COMPOUNDS CV THERAPEUTICS, INC. (US) 2001-08-30 WO disclosed
WO-2001062749-A1 SUBSTITUTED PIPERAZINE COMPOUNDS CV THERAPEUTICS, INC. (US) 2001-08-30 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-20010047001-A1 Substituted alkyl piperazine derivatives ATP2A1, CPT1B, TNNC1 GAA 1671/4885TDP1 3188/4885KDM4E 3816/4885
US-20010044541-A1 Substituted piperazine compounds ATP2A1, CPT1B, TNNC1 GAA 1569/4885TDP1 3367/4885KDM4E 4437/4885
US-20030064994-A1 Substituted alkyl piperazine derivatives ATP2A1, CPT1B, TNNC1 GAA 1671/4885TDP1 3188/4885KDM4E 3816/4885

“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.