SCHEMBL1760150

SCHEMBL1760150

CC(C)(C)OC(=O)NCCCC(=O)c1ccc(Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
TDP1 Q9NUW8 1/20 0.48
FPR3 P25089 4/20 0.47
FPR2 P25090 4/20 0.47
CA1 P00915 5/20 0.47
CA2 P00918 5/20 0.47
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 2/20 0.45
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL4085154 0.86 MGLL (0.48) TDP1CA1CA2KMT2AMEN1
SCHEMBL24350075 0.86 NPC1 (0.54) TDP1CA1CA2KMT2AMEN1
SCHEMBL1929771 0.86 SIGMAR1 (0.52) HDAC1HDAC8TDP1CA1CA2
SCHEMBL20649129 0.84 NPC1 (0.58) TDP1FPR3FPR2ALDH1A1KMT2A
SCHEMBL13114818 0.84 CA1 (0.46) TDP1CA1CA2ALDH1A1KMT2A
SCHEMBL23992278 0.83 STK17B (0.46) TDP1FPR3FPR2CA1CA2
SCHEMBL204168 0.82 ALDH1A1 (0.50) HDAC1HDAC8FPR3FPR2ALDH1A1
SCHEMBL24746443 0.82 CA1 (0.45) TDP1CA1CA2KMT2AMEN1
SCHEMBL205459 0.82 CA1 (0.45) TDP1CA1CA2KMT2AMEN1
SCHEMBL29925130 0.82 CA1 (0.45) TDP1CA1CA2KMT2AMEN1

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
US-20230331739-A1 INDOLO HEPTAMYL OXIME ANALOG CRYSTAL AS PARP INHIBITOR AND METHOD FOR PREPARING SAME CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-10-19 US disclosed
US-20230331739-A1 INDOLO HEPTAMYL OXIME ANALOG CRYSTAL AS PARP INHIBITOR AND METHOD FOR PREPARING SAME CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-10-19 US disclosed
US-11364241-B2 Dihydropyridophthalazinone inhibitors of poly(ADP-ribose)polymerase (PARP) MEDIVATION TECHNOLOGIES LLC (US) 2022-06-21 US disclosed
EP-3919495-A1 INDOLO HEPTAMYL OXIME ANALOGUE AS PARP INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2021-12-08 EP disclosed
WO-2020156577-A1 INDOLO HEPTAMYL OXIME ANALOGUE AS PARP INHIBITOR 正大天晴药业集团股份有限公司 2020-08-06 WO disclosed
EP-2635560-A1 DIHYDROOXAZOL-2-AMINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2013-09-11 EP disclosed
EP-2499121-A1 OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS. F. Hoffmann-La Roche AG (CH) 2012-09-19 EP disclosed
WO-2012059371-A1 DIHYDROOXAZOL-2-AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-05-10 WO disclosed
WO-2011130661-A1 METHODS OF USING DIHYDROPYRIDOPHTHALAZINONE INHIBITORS OF POLY (ADP-RIBOSE)POLYMERASE (PARP) BIOMARIN PHARMACEUTICAL INC. (US) 2011-10-20 WO disclosed
WO-2011057973-A1 OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2011-05-19 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-11364241-B2 Dihydropyridophthalazinone inhibitors of poly(ADP-ribose)polymerase (PARP) PARP1, PARP2, PARP11 HDAC1 67/4885HDAC8 263/4885TDP1 93/4885
US-20230331739-A1 INDOLO HEPTAMYL OXIME ANALOG CRYSTAL AS PARP INHIBITOR AND METHOD FOR PREPARING SAME PARP1, PARP2, PARP8 HDAC1 527/4885HDAC8 1119/4885TDP1 56/4885

“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.