SCHEMBL128987

SCHEMBL128987

COCOc1ccc(Br)cc1C=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.60
HPGD P15428 3/20 0.45
TSHR P16473 3/20 0.45
ERN1 O75460 2/20 0.44
POLB P06746 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP3A4 P08684 3/20 0.41
CYP2D6 P10635 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP2C9 P11712 2/20 0.41
LMNA P02545 3/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
USP2 O75604 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL29888853 0.87 PTGDR2 (0.60) PTGDR2HPGDTSHRERN1POLB
SCHEMBL4960450 0.87 PTGDR2 (0.60) PTGDR2HPGDTSHRERN1POLB
SCHEMBL19810739 0.87 PTGDR2 (0.45) PTGDR2HPGDTSHRERN1L3MBTL1
SCHEMBL17399930 0.83 HPGD (0.47) PTGDR2HPGDTSHRPOLBCTDSP1
SCHEMBL155442 0.83 HPGD (0.64) PTGDR2HPGDTSHRERN1POLB
SCHEMBL14161971 0.82 PTGDR2 (0.52) PTGDR2HPGDTSHRERN1POLB
SCHEMBL16705703 0.81 TUBB1 (0.52) PTGDR2HPGDTSHRERN1TDP1
SCHEMBL5699880 0.81 HPGD (0.65) PTGDR2HPGDTSHRERN1POLB
SCHEMBL2154291 0.81 ALDH1A1 (0.43) PTGDR2HPGDTSHRERN1POLB
SCHEMBL29890082 0.80 ERN1 (0.58) PTGDR2TSHRERN1TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230115350-A1 TEAD INHIBITORS AND USES THEREOF CEDILLA THERAPEUTICS, INC. 2023-04-13 US disclosed
WO-2023009785-A1 TEAD INHIBITORS AND USES THEREOF CEDILLA THERAPEUTICS, INC. (US) 2023-02-02 WO disclosed
WO-2023009785-A1 TEAD INHIBITORS AND USES THEREOF CEDILLA THERAPEUTICS, INC. (US) 2023-02-02 WO disclosed
EP-2970331-B1 SPIRO AZETIDINE ISOXAZOLE DERIVATIVES AND THEIR USE AS SSTR5 ANTAGONISTS TAKEDA PHARMACEUTICALS CO (JP) 2017-05-17 EP disclosed
CN-106573906-A Piperidine-dione derivatives 豪夫迈·罗氏有限公司 2017-04-19 CN disclosed
US-9605000-B2 Spiro azetidine isoxazole derivatives and their use as SSTR antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-28 US disclosed
EP-3119760-A1 PIPERIDINE-DIONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2017-01-25 EP disclosed
US-20170001990-A1 PIPERIDINE-DIONE DERIVATIVES GENENTECH, INC. (US) 2017-01-05 US disclosed
US-20170001990-A1 PIPERIDINE-DIONE DERIVATIVES GENENTECH, INC. (US) 2017-01-05 US disclosed
US-20170001990-A1 PIPERIDINE-DIONE DERIVATIVES GENENTECH, INC. (US) 2017-01-05 US disclosed
CN-101374844-B Pyrrolopyridazinone compound UBE INDUSTRIES 2012-10-24 CN disclosed
US-8273773-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-09-25 US disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
US-20100021423-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2010-01-28 US disclosed
CN-101374844-A Pyrrolopyridazinone compound UBE INDUSTRIES (JP) 2009-02-25 CN disclosed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 EP disclosed
US-5716971-A FOR TREATMENT OF ANGINA PECTORIS AND HYPERTENSION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-10 US disclosed
EP-0623597-B1 Pyridine derivatives, with potassium channel opening activity TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-10-22 EP disclosed
EP-0623597-A1 Pyridine derivatives, with potassium channel opening activity Takeda Chemical Industries, Ltd. (JP) 1994-11-09 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 (4 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-20230115350-A1 TEAD INHIBITORS AND USES THEREOF TEAD2, TEAD3, TEAD4 PTGDR2 3127/4885HPGD 299/4885TSHR 4267/4885
US-20170001990-A1 PIPERIDINE-DIONE DERIVATIVES DRD4, ADORA1, ADORA3 PTGDR2 216/4885HPGD 4152/4885TSHR 351/4885
US-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 PTGDR2 159/4885HPGD 450/4885TSHR 1420/4885
US-20100021423-A1 Heterocyclic antiviral compounds POLR2A, RRM2B, RRP1B PTGDR2 4318/4885HPGD 2497/4885TSHR 1823/4885

“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.