SCHEMBL5402496

SCHEMBL5402496

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
ATM Q13315 1/20 0.36
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
SLC6A2 P23975 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CHRND Q07001 1/20 0.36
PARP1 P09874 1/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.36
ENPP3 O14638 2/20 0.35
ALPL P05186 2/20 0.35
XIAP P98170 2/20 0.35
MGAM O43451 1/20 0.35
AMY1A P0DUB6 1/20 0.35

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
SCHEMBL5405556 0.70 NT5E (0.43) HPGDALDH1A1
SCHEMBL5406467 0.69 ALDH1A1 (0.40) POLBKMT2AMAPTHPGDNPC1
SCHEMBL5410158 0.68 ALDH1A1 (0.39) POLBSLC6A2SLC6A3MAPTENPP3
SCHEMBL29139307 0.67 ENPP3 (0.46) POLBCHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL30726658 0.67 ENPP3 (0.46) POLBCHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL29503529 0.66 PARP1 (0.68) POLBATMPARP1KMT2AHDAC8
SCHEMBL186545 0.66 PARP1 (0.68) POLBATMPARP1KMT2AHDAC8
SCHEMBL4686934 0.65 POLB (0.45) POLBPARP1KMT2AMAPTENPP3
SCHEMBL15264066 0.64 PARP1 (0.65) POLBATMPARP1KMT2AHDAC8
SCHEMBL822041 0.62 PARP1 (0.63) POLBATMPARP1KMT2AHDAC8

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 1333/4885ATM 2792/4885CHRNA1 2376/4885

“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.