SCHEMBL4816596

SCHEMBL4816596

O=C(Oc1ccccc1)c1cccc(Br)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.59
ALDH1A1 P00352 4/20 0.59
CYP1A2 P05177 3/20 0.59
CYP2C9 P11712 1/20 0.59
TSHR P16473 1/20 0.59
CYP2C19 P33261 1/20 0.59
GAA P10253 2/20 0.58
HPGD P15428 1/20 0.58
NFKB1 P19838 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
MAPT P10636 5/20 0.55
TDP1 Q9NUW8 2/20 0.55
NSD2 O96028 1/20 0.54
MAPK1 P28482 1/20 0.54
PARP1 P09874 1/20 0.52
MEN1 O00255 2/20 0.50
PARP10 Q53GL7 1/20 0.50
NPC1 O15118 1/20 0.50

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
SCHEMBL8210907 0.89 KMT2A (0.68) KMT2AALDH1A1CYP1A2CYP2C9TSHR
SCHEMBL69684 0.87 NSD2 (0.63) KMT2AALDH1A1HPGDMAPTTDP1
SCHEMBL8673010 0.85 NSD2 (0.61) KMT2AALDH1A1HPGDMAPTTDP1
SCHEMBL28168705 0.85 NSD2 (0.61) KMT2AALDH1A1HPGDMAPTTDP1
SCHEMBL5684962 0.85 KMT2A (0.51) KMT2AALDH1A1CYP1A2CYP2C9TSHR
SCHEMBL10664572 0.83 PARP10 (0.65) KMT2AALDH1A1SMN1; SMN2MAPTTDP1
SCHEMBL9368330 0.83 MRGPRX4 (0.76) ALDH1A1SMN1; SMN2PARP10NPC1RAB9A
SCHEMBL4798881 0.82 KMT2A (0.49) KMT2AALDH1A1CYP1A2CYP2C9TSHR
SCHEMBL4797877 0.82 KMT2A (0.49) KMT2AALDH1A1CYP1A2CYP2C9TSHR
SCHEMBL5488350 0.81 SMN1; SMN2 (0.61) ALDH1A1CYP1A2TSHRGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112047917-B Xanthohumol derivative and preparation method and application thereof 中国科学院新疆理化技术研究所 2023-10-31 CN disclosed
CN-108517022-A For the ingredient of solid catalyst and its catalyst of olefinic polymerization and application 北京利和知信科技有限公司 2018-09-11 CN disclosed
CN-108517021-A A kind of ingredient of solid catalyst, catalyst and its application being suitable for producing broad molecular weight distribution polymers 北京利和知信科技有限公司 2018-09-11 CN disclosed
EP-1740579-B1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBVIE INC (US) 2015-08-19 EP disclosed
US-8853207-B2 Heterocyclic pyrazole compounds, method for preparing the same and use thereof DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2014-10-07 US disclosed
US-20130274255-A1 HETEROCYCLIC PYRAZOLE COMPOUNDS, METHOD FOR PREPARING THE SAME AND USE THEREOF DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2013-10-17 US disclosed
US-7468371-B2 Tricyclic pyrazole kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-12-23 US disclosed
EP-1740579-A1 TRICYCLIC PYRAZOLE KINASE INHIBITORS Abbott Laboratories (US) 2007-01-10 EP disclosed
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors ABBVIE INC. 2006-01-19 US disclosed
WO-2005095387-A1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2005-10-13 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 (2 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-20130274255-A1 HETEROCYCLIC PYRAZOLE COMPOUNDS, METHOD FOR PREPARING THE SAME AND USE THEREOF RET, FLT3, FGFR1 KMT2A 1760/4885ALDH1A1 1491/4885CYP1A2 240/4885
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors PRKDC, PRKACA, PIK3C3 KMT2A 1384/4885ALDH1A1 3901/4885CYP1A2 2708/4885

“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.