SCHEMBL5402500

SCHEMBL5402500

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
DPP4 P27487 9/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK14 Q16539 1/20 0.35
TSHR P16473 2/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NISCH Q9Y2I1 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HTR2C P28335 1/20 0.34
IDO1 P14902 1/20 0.34
METAP2 P50579 1/20 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
SCHEMBL5405556 0.89 NT5E (0.43) ALDH1A1TSHRHPGD
SCHEMBL5405683 0.89 KDM4E (0.38) NPC1RAB9AKMT2AALDH1A1TSHR
SCHEMBL5422355 0.88 ALDH1A1 (0.38) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL5406467 0.86 ALDH1A1 (0.40) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL5402496 0.77 POLB (0.37) NPC1RAB9AKMT2ACASP3SENP7
SCHEMBL5405576 0.74 TLR8 (0.38) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL2270872 0.66 KDM4E (0.53) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL5413319 0.64 NT5E (0.44) ALDH1A1TSHRHPGD
SCHEMBL14504719 0.63 ALDH1A1 (0.59) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL17795038 0.63 BRD4 (0.53) MEN1KMT2A

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 NPC1 4511/4885RAB9A 4701/4885MEN1 4347/4885

“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.