SCHEMBL1264013

SCHEMBL1264013

Oc1ccc(Cn2nc3ccccc3n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.44
ESR2 Q92731 3/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CYP19A1 P11511 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
AR P10275 1/20 0.39
DRD4 P21917 1/20 0.39
PDE6D O43924 1/20 0.39
ALDH2 P05091 1/20 0.39
ALDH3A1 P30838 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
SCHEMBL9304768 0.83 CYP19A1 (0.58) KMT2AMEN1CYP19A1ALDH1A1KDM4E
SCHEMBL22001014 0.80 TP53 (0.57) KMT2AMEN1ALDH1A1KDM4ENPC1
SCHEMBL4834224 0.80 TNF (0.44) KMT2ACYP19A1ALDH1A1KDM4ENPC1
SCHEMBL9304572 0.80 RAB9A (0.51) KMT2AMEN1CYP19A1ALDH1A1KDM4E
SCHEMBL29234887 0.79 CXCR2 (0.47) KMT2AALDH1A1KDM4ELMNAMAPT
SCHEMBL28861008 0.76 HSP90AA1 (0.49) ESR1ESR2KMT2AMEN1ALDH1A1
SCHEMBL5846689 0.74 TAAR1 (0.39) ESR1ESR2KMT2AMEN1ALDH1A1
SCHEMBL29072079 0.74 ALOX5 (0.47) ALDH1A1KDM4EGLAGAAMAPT
SCHEMBL8745426 0.73 KDM4E (0.42) CYP19A1ALDH1A1KDM4ENPC1LMNA
SCHEMBL15569205 0.73 ALDH1A1 (0.72) ESR1ALDH1A1KDM4ELMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120329885-A1 Ultraviolet light absorbing compounds based on benzyl substituted 2-(2- hydroxyphenyl) benzotriazoles CHANG CHIA-HU (US) 2012-12-27 US disclosed
US-8163934-B2 Ultraviolet light absorbing ketones of 2-(2-hydroxyphenyl) benzotriazole CHANG CHIA-HU (US) 2012-04-24 US disclosed
EP-2332013-A1 ULTRAVIOLET LIGHT ABSORBING KETONES OF 2-(2-HYDROXYPHENYL) BENZOTRIAZOLE Chang, Chia-Hu (US) 2011-06-15 EP disclosed
US-20110038816-A1 Ultraviolet light absorbing ketones of 2-(2-hydroxyhenyl) benzotriazole CHANG CHIA-HU 2011-02-17 US disclosed
US-7847103-B2 Ultraviolet light absorbing ketones of 2-(2-hydroxyphenyl) benzotriazole CHANG CHIA-HU 2010-12-07 US disclosed
US-20100086500-A1 Ultraviolet light absorbing ketones of 2-(2-Hydroxyphenyl) benzotriazole CHANG CHIA-HU 2010-04-08 US disclosed
WO-2010039229-A1 ULTRAVIOLET LIGHT ABSORBING KETONES OF 2-(2-HYDROXYPHENYL) BENZOTRIAZOLE CHANG CHIA-HU (US) 2010-04-08 WO disclosed
EP-1077246-B1 Use of benzotriazolyl-alkylene bisphenol compounds as antioxidants for organic materials JOHOKU CHEMICAL CO LTD (JP) 2005-01-26 EP disclosed
EP-0847997-B1 Process for the preparation of Benzotriazolylalkylene bisphenol compounds JOHOKU CHEMICAL CO LTD (JP) 2002-02-06 EP disclosed
EP-1077246-A2 Use of benzotriazolyl-alkylene bisphenol compounds as antioxidants for organic materials Johoku Chemical Co., Ltd. (JP) 2001-02-21 EP disclosed
US-5932142-A REACTING 2-HYDROXYPHENYLBENZOTRIAZOLE AND 2,4-DISUBSTITUTED PHENOL WITH AN ALDEHYDE JOHOKU CHEMICAL CO., LTD. (JP) 1999-08-03 US disclosed
EP-0847997-A1 Benzotriazolyl-alkylene bisphenol compounds, process for their preparation, and stabilized organic materials containing them Johoku Chemical Co., Ltd. (JP) 1998-06-17 EP 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 (3 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-20110038816-A1 Ultraviolet light absorbing ketones of 2-(2-hydroxyhenyl) benzotriazole HCRTR2, HCRTR1, POLL ESR1 1842/4885ESR2 1110/4885KMT2A 345/4885
US-20120329885-A1 Ultraviolet light absorbing compounds based on benzyl substituted 2-(2- hydroxyphenyl) benzotriazoles AHR, ARNT, BCAT1 ESR1 838/4885ESR2 385/4885KMT2A 1132/4885
US-20100086500-A1 Ultraviolet light absorbing ketones of 2-(2-Hydroxyphenyl) benzotriazole HCRTR2, HCRTR1, PAH ESR1 1928/4885ESR2 1175/4885KMT2A 357/4885

“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.