SCHEMBL473944

SCHEMBL473944

COc1ccc(CC(=O)Cl)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
THRB P10828 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 1/20 0.44
PTGS1 P23219 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
HTR2A P28223 2/20 0.42
SLC6A4 P31645 2/20 0.42
KCNH2 Q12809 2/20 0.42
IDO1 P14902 1/20 0.42
JAK2 O60674 1/20 0.41
TYK2 P29597 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
CSNK1D P48730 1/20 0.41

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
SCHEMBL30557829 0.86 CYP3A4 (0.47) HSD17B10TDP1MEN1ALDH1A1THRB
SCHEMBL473881 0.86 HSD17B10 (0.63) HSD17B10TDP1MEN1ALDH1A1THRB
SCHEMBL16836022 0.86 HSD17B10 (0.50) HSD17B10TDP1ALDH1A1L3MBTL1POLB
SCHEMBL17767019 0.86 CYP3A4 (0.47) HSD17B10TDP1MEN1ALDH1A1THRB
SCHEMBL473984 0.85 ALDH1A1 (0.53) HSD17B10TDP1MEN1ALDH1A1THRB
SCHEMBL10488524 0.83 KDM4E (0.43) TDP1ALDH1A1L3MBTL1POLBAKR1C3
SCHEMBL31204494 0.83 TDP1 (0.44) HSD17B10TDP1MEN1ALDH1A1THRB
SCHEMBL8237110 0.83 HSD17B10 (0.50) HSD17B10MEN1ALDH1A1KMT2APOLB
SCHEMBL1097812 0.83 KMT2A (0.56) HSD17B10MEN1ALDH1A1HTTKMT2A
SCHEMBL1097958 0.83 HSD17B10 (0.46) HSD17B10MEN1KMT2APOLBPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0741700-B1 1-H-3-ARYLPYRROLIDINE-2,4-DIONE DERIVATIVES AS PEST-CONTROL AGENTS BAYER CROPSCIENCE AG (DE) 2009-10-07 EP claimed
US-20040019061-A1 1-H-3-arylpirrolidine-2,4-dione derivatives FISCHER REINER (DE) 2004-01-29 US claimed
US-20240417379-A1 P2X4 RECEPTOR ANTAGONIST NIPPON CHEMIPHAR CO., LTD (JP) 2024-12-19 US disclosed
US-12116351-B2 P2X4 receptor antagonist NIPPON CHEMIPHAR CO., LTD (JP) 2024-10-15 US disclosed
US-20220380322-A1 P2X4 RECEPTOR ANTAGONIST NIPPON CHEMIPHAR CO., LTD (JP) 2022-12-01 US disclosed
US-11434207-B2 P2X4 receptor antagonist NIPPON CHEMIPHAR CO., LTD (JP) 2022-09-06 US disclosed
CN-108863959-B P2X4 receptor antagonists 日本化学药品株式会社 2021-11-30 CN disclosed
US-20200223806-A1 P2X4 RECEPTOR ANTAGONIST NIPPON CHEMIPHAR CO., LTD (JP) 2020-07-16 US disclosed
CN-111333588-A P2X4 receptor antagonists 日本化学药品株式会社 2020-06-26 CN disclosed
US-10633349-B2 P2X4 receptor antagonist NIPPON CHEMIPHAR CO., LTD (JP) 2020-04-28 US disclosed
CN-104066724-B P2X4 receptor antagonists 日本化学药品株式会社 2020-04-17 CN disclosed
US-8450313-B2 2,3-diaryl- or heteroaryl-substituted 1,1,1-trifluoro-2-hydroxypropyl compounds HOFFMANN-LA ROCHE INC. (US) 2013-05-28 US disclosed
US-8268820-B2 2,3-diaryl- or heteroaryl-substituted 1,1,1-trifluoro-2-hydroxypropyl compounds HOFFMANN-LA ROCHE INC. (US) 2012-09-18 US disclosed
US-20120232071-A1 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HUNZIKER DANIEL (CH) 2012-09-13 US disclosed
EP-2411365-A1 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-02-01 EP disclosed
WO-2010108903-A1 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-30 WO disclosed
US-20100249124-A1 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-09-30 US disclosed
US-6939888-B2 1-H-3-arylpirrolidine-2,4-dione derivatives BAYER AKTIENGESELLSCHAFT (DE) 2005-09-06 US disclosed
US-20040019061-A1 1-H-3-arylpirrolidine-2,4-dione derivatives FISCHER REINER (DE) 2004-01-29 US disclosed
US-6472419-B1 1-H-3-aryl-pyrrolidine-2, 4-dione derivatives as pest-control agents BAYER AKTIENGESELLSCHAFT (DE) 2002-10-29 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 (9 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-20220380322-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 HSD17B10 3752/4885TDP1 4154/4885MEN1 3450/4885
US-20240417379-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 HSD17B10 3701/4885TDP1 3916/4885MEN1 3285/4885
US-12116351-B2 P2X4 receptor antagonist P2RX7, P2RX1, P2RX2 HSD17B10 3752/4885TDP1 4154/4885MEN1 3450/4885
US-20200223806-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 HSD17B10 3752/4885TDP1 4154/4885MEN1 3450/4885
US-20100249124-A1 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS NR3C1, NR3C2, MC2R HSD17B10 146/4885TDP1 2346/4885MEN1 2174/4885
US-20120232071-A1 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS NR3C1, NR3C2, MC2R HSD17B10 144/4885TDP1 2299/4885MEN1 2227/4885
US-11434207-B2 P2X4 receptor antagonist P2RX7, P2RX1, P2RX2 HSD17B10 3752/4885TDP1 4154/4885MEN1 3450/4885
US-10633349-B2 P2X4 receptor antagonist P2RX7, P2RX1, P2RX2 HSD17B10 3752/4885TDP1 4154/4885MEN1 3450/4885
US-20040019061-A1 1-H-3-arylpirrolidine-2,4-dione derivatives PRXL2A, DDT, CYP4B1 HSD17B10 1742/4885TDP1 2545/4885MEN1 3194/4885

“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.