SCHEMBL6927326

SCHEMBL6927326

CCOc1ccc2nn(-c3cc(C)ccc3O)nc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.61
RAB9A P51151 6/20 0.61
LMNA P02545 1/20 0.61
KDM4E B2RXH2 3/20 0.54
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
PKM P14618 1/20 0.47
MAPT P10636 6/20 0.47
RXFP1 Q9HBX9 2/20 0.47
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL6941182 0.85 RAB9A (0.66) NPC1RAB9ALMNAKDM4EMEN1
SCHEMBL6929101 0.84 NPC1 (0.44) NPC1RAB9ALMNAKDM4EMEN1
SCHEMBL2806065 0.83 NPC1 (0.59) NPC1RAB9ALMNAKDM4EMEN1
SCHEMBL3297579 0.83 NPC1 (0.81) NPC1RAB9ALMNAKDM4EMEN1
SCHEMBL564179 0.80 RAB9A (0.61) NPC1RAB9ALMNAKDM4EMEN1
SCHEMBL29814623 0.80 RAB9A (0.61) NPC1RAB9ALMNAKDM4EMEN1
SCHEMBL9408806 0.80 NPC1 (0.66) NPC1RAB9ALMNAKDM4EMEN1
SCHEMBL10714551 0.80 NPC1 (0.58) NPC1RAB9ALMNAKDM4EMAPT
SCHEMBL6930005 0.79 NPC1 (0.54) NPC1RAB9ALMNAKDM4EMEN1
SCHEMBL6930002 0.78 NPC1 (0.50) NPC1RAB9ALMNAKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6756499-B2 REACTING A BROMO-FUNCTIONALIZED BENZOTRIAZOLE ULTRAVIOLET RADIATION(UV) ABSORBER COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-06-29 US disclosed
US-20020082428-A1 Process for the preparation of novel diol-functionalized UV absorbers COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH 2002-06-27 US disclosed
US-6320056-B1 REACTING A 2-(2-HYDROXY-5-MEHTYLPHENYL)BENZOTIAZOLE WITH BROMINE IN PRESENCE OF NON-POLAR SOLVENT AND FREE RADICAL INITIATOR, SEPARATING SOLVENT AND PURIFYING BY RECRYSTALLIZATION; ONE STEP COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2001-11-20 US disclosed
US-6307055-B1 OPTIONALLY SUBSTITUTED 2-(2-HYDROXY-5-(N,N-BIS(HYDROXYALKYL)AMINOMETHYL)PHENYL)BENZOT RIAZOLES; UV ABSORBERS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2001-10-23 US disclosed
US-6284895-B1 Bromo-functionalized benzotriazole UV absorbers COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2001-09-04 US 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-20020082428-A1 Process for the preparation of novel diol-functionalized UV absorbers UGT1A1, ERCC1, CYP1B1 NPC1 432/4885RAB9A 1317/4885LMNA 1015/4885

“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.