SCHEMBL6933818

SCHEMBL6933818

CC(C)(C)c1ccc2nn(-c3cc(CBr)ccc3O)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 3/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 3/20 0.36
GAA P10253 2/20 0.36
PKM P14618 2/20 0.36
RECQL P46063 1/20 0.36
CYP2D6 P10635 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PLG P00747 2/20 0.33
KLK1 P06870 2/20 0.33
KLK6 Q92876 2/20 0.33
KLKB1 P03952 1/20 0.33

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
SCHEMBL8786914 0.82 RXRA (0.44) NPC1LMNARAB9AMEN1KMT2A
SCHEMBL6931964 0.81 NPC1 (0.66) NPC1LMNARAB9AALDH1A1HPGD
SCHEMBL2796744 0.81 NPC1 (0.59) NPC1LMNARAB9AALDH1A1HPGD
SCHEMBL27481690 0.80 NPC1 (0.46) NPC1LMNARAB9AALDH1A1HPGD
SCHEMBL6931467 0.80 NPC1 (0.43) NPC1LMNARAB9AALDH1A1ALOX15
SCHEMBL6924417 0.78 NPC1 (0.37) NPC1LMNARAB9AMEN1KMT2A
SCHEMBL5140724 0.78 MEN1 (0.36) NPC1LMNARAB9AALDH1A1HPGD
SCHEMBL4992804 0.78 NPC1 (0.35) NPC1LMNARAB9AALDH1A1HPGD
SCHEMBL78159 0.78 NPC1 (0.64) NPC1LMNARAB9AALDH1A1HPGD
SCHEMBL29354646 0.78 NPC1 (0.64) NPC1LMNARAB9AALDH1A1HPGD

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 432/4885LMNA 1015/4885RAB9A 1317/4885

“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.