SCHEMBL1246772

SCHEMBL1246772

OCCc1cc(F)cc(CBr)c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX5 P09917 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
BACE1 P56817 1/20 0.34
CA2 P00918 1/20 0.33
IDO1 P14902 2/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
CYP17A1 P05093 1/20 0.31
CYP21A2 P08686 1/20 0.31
CYP11B1 P15538 1/20 0.31
DAO P14920 1/20 0.31

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
SCHEMBL31337516 0.89 TDP1 (0.42) TDP1KDM4EALDH1A1ALOX5GAA
SCHEMBL27830244 0.87 TDP1 (0.34) TDP1KDM4EALDH1A1ALOX5GAA
SCHEMBL1154666 0.84 IDO1 (0.42) TDP1KDM4EALDH1A1ALOX5GAA
SCHEMBL31139277 0.83 IDO1 (0.40) ALDH1A1IDO1
SCHEMBL19383083 0.80 TDP1 (0.36) TDP1KDM4EALDH1A1ALOX5GAA
SCHEMBL12101005 0.80 TDP1 (0.36) TDP1KDM4EALDH1A1ALOX5GAA
SCHEMBL31337562 0.80 TDP1 (0.36) TDP1KDM4EALDH1A1ALOX5GAA
SCHEMBL1247139 0.78 TDP1 (0.34) TDP1KDM4EALDH1A1ALOX5GAA
SCHEMBL1247063 0.78 PGK1 (0.38) TDP1KDM4EALDH1A1ALOX5GAA
SCHEMBL22169009 0.78 CA2 (0.38) TDP1KDM4EALDH1A1ALOX5GAA

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025050636-A1 MACROCYCLIC PYRAZOLOPYRIMIDINE COMPOUND AND USE THEREOF 浙江养生堂天然药物研究所有限公司 2025-03-13 WO disclosed
CN-119552171-A Macrocyclic pyrazolopyrimidine compound and application thereof 浙江养生堂天然药物研究所有限公司 2025-03-04 CN disclosed
US-8629271-B2 Compounds ASTRAZENECA AB (GB) 2014-01-14 US disclosed
US-8629271-B2 Compounds ASTRAZENECA AB (GB) 2014-01-14 US disclosed
US-8629271-B2 Compounds ASTRAZENECA AB (GB) 2014-01-14 US disclosed
US-8476265-B2 Compounds-801 ASTRAZENECA AB (SE) 2013-07-02 US disclosed
US-8476265-B2 Compounds-801 ASTRAZENECA AB (SE) 2013-07-02 US disclosed
US-8476265-B2 Compounds-801 ASTRAZENECA AB (SE) 2013-07-02 US disclosed
US-8455483-B2 Compounds—801 ASTRAZENECA AB (SE) 2013-06-04 US disclosed
US-8455483-B2 Compounds—801 ASTRAZENECA AB (SE) 2013-06-04 US disclosed
US-20110053909-A1 Compounds - 801 PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2011-03-03 US disclosed
US-20110053909-A1 Compounds - 801 PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2011-03-03 US disclosed
WO-2011012896-A2 COMPOUNDS - 801 ASTRAZENECA AB (SE) 2011-02-03 WO disclosed
WO-2011012896-A2 COMPOUNDS - 801 ASTRAZENECA AB (SE) 2011-02-03 WO disclosed
EP-2242759-A1 COMPOUNDS AstraZeneca AB (SE) 2010-10-27 EP disclosed
US-20090298807-A1 Compounds ASTRAZENECA AB (SE) 2009-12-03 US disclosed
US-20090298807-A1 Compounds ASTRAZENECA AB (SE) 2009-12-03 US disclosed
US-20090298807-A1 Compounds ASTRAZENECA AB (SE) 2009-12-03 US disclosed
WO-2009098448-A1 COMPOUNDS ASTRAZENECA AB (SE) 2009-08-13 WO disclosed
WO-2009098448-A1 COMPOUNDS ASTRAZENECA AB (SE) 2009-08-13 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-20090298807-A1 Compounds PKD1, SLC10A1, ABCB11 TDP1 4473/4885KDM4E 3670/4885ALDH1A1 102/4885
US-20110053909-A1 Compounds - 801 ADRA2C, ADRB2, ADRB1 TDP1 4658/4885KDM4E 3165/4885ALDH1A1 264/4885

“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.