SCHEMBL5405572

SCHEMBL5405572

Cc1cccc(C(=O)c2nnc3cc(CCO)[nH]n23)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
PARP1 P09874 1/20 0.35
MAPT P10636 4/20 0.35
KMT2A Q03164 2/20 0.35
VNN1 O95497 2/20 0.35
HPGD P15428 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
GAA P10253 2/20 0.34
ENPP3 O14638 1/20 0.34
ALPL P05186 1/20 0.34
XIAP P98170 1/20 0.34
GPR52 Q9Y2T5 1/20 0.34
MGAM O43451 1/20 0.34
AMY1A P0DUB6 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34

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
SCHEMBL5410158 0.79 ALDH1A1 (0.39) POLBMAPTENPP3ALPLXIAP
SCHEMBL5402496 0.78 POLB (0.37) POLBPARP1MAPTKMT2AHPGD
SCHEMBL5417627 0.70 RAD51 (0.41) POLBMAPTKMT2AHPGDALDH1A1
SCHEMBL5410150 0.69 NT5E (0.43) HPGDALDH1A1
SCHEMBL5414074 0.68 KDM4E (0.38) POLBMAPTHPGDALDH1A1SMN1; SMN2
SCHEMBL5417515 0.68 RAB9A (0.35) POLBMAPTKMT2AHPGDGAA
SCHEMBL29503529 0.65 PARP1 (0.68) POLBPARP1KMT2AHPGDTDP1
SCHEMBL186545 0.65 PARP1 (0.68) POLBPARP1KMT2AHPGDTDP1
SCHEMBL4686934 0.64 POLB (0.45) POLBPARP1MAPTKMT2AHPGD
SCHEMBL30726658 0.64 ENPP3 (0.46) POLBPARP1MAPTHPGDENPP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1362049-B1 PYRAZOLO-TRIAZOLES AND USE OF SAID COMPOUNDS FOR DYEING KERATINOUS FIBRES OREAL (FR) 2006-06-21 EP claimed
US-20040088801-A1 Novel pyrazolo-triazoles and use of said compounds for dyeing keratinous fibres L'OREAL S.A. (FR) 2004-05-13 US claimed
EP-1362049-A1 NOVEL PYRAZOLO-TRIAZOLES AND USE OF SAID COMPOUNDS FOR DYEING KERATINOUS FIBRES L'OREAL (FR) 2003-11-19 EP claimed
WO-2002064596-A1 NOVEL PYRAZOLO-TRIAZOLES AND USE OF SAID COMPOUNDS FOR DYEING KERATINOUS FIBRES L'OREAL (FR) 2002-08-22 WO claimed
US-7192452-B2 Pyrazolo-triazoles and use of said compounds for dyeing keratinous fibres L'OREAL S.A. (FR) 2007-03-20 US disclosed
EP-1362049-B1 PYRAZOLO-TRIAZOLES AND USE OF SAID COMPOUNDS FOR DYEING KERATINOUS FIBRES OREAL (FR) 2006-06-21 EP disclosed
US-20040088801-A1 Novel pyrazolo-triazoles and use of said compounds for dyeing keratinous fibres L'OREAL S.A. (FR) 2004-05-13 US disclosed
EP-1362049-A1 NOVEL PYRAZOLO-TRIAZOLES AND USE OF SAID COMPOUNDS FOR DYEING KERATINOUS FIBRES L'OREAL (FR) 2003-11-19 EP disclosed
WO-2002064596-A1 NOVEL PYRAZOLO-TRIAZOLES AND USE OF SAID COMPOUNDS FOR DYEING KERATINOUS FIBRES L'OREAL (FR) 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 (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-20040088801-A1 Novel pyrazolo-triazoles and use of said compounds for dyeing keratinous fibres KRT18, CYC1, CBR3 POLB 1333/4885PARP1 1019/4885MAPT 3285/4885

“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.