Sugi Predict

Sugi Predict / Compounds / SCHEMBL293466

SCHEMBL293466

SCHEMBL293466

COc1ccc2c(c1)NC(=O)C(C)O2

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 5/20 0.57
▸ HTR1A P08908 2/20 0.50
▸ HTR7 P34969 2/20 0.50
▸ KCNH2 Q12809 1/20 0.50
▸ PDE3B Q13370 2/20 0.49
▸ PDE3A Q14432 2/20 0.49
▸ HSD17B10 Q99714 2/20 0.46
▸ SMYD3 Q9H7B4 2/20 0.45
▸ CA2 P00918 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ USP2 O75604 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ ALDH1A1 P00352 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
SCHEMBL30665888 1.00 PARP1 (0.57) PARP1HTR1AHTR7KCNH2PDE3B
SCHEMBL13870348 0.88 PARP1 (0.57) PARP1HTR1AHTR7KCNH2PDE3B
SCHEMBL27801780 0.84 PARP1 (0.53) PARP1HTR1AHTR7KCNH2PDE3B
SCHEMBL26654821 0.83 HSD17B10 (0.47) PARP1HTR1AHTR7KCNH2PDE3B
SCHEMBL6998639 0.82 PARP1 (0.76) PARP1HTR1AHTR7KCNH2HSD17B10
SCHEMBL23842802 0.81 PARP1 (0.50) PARP1HTR1AHTR7KCNH2PDE3B
SCHEMBL532821 0.81 PARP1 (0.52) PARP1HTR1AHTR7KCNH2PDE3B
SCHEMBL10359034 0.81 BRD4 (0.44) HTR1AHTR7KCNH2HSD17B10CA2
SCHEMBL26654694 0.81 HSD17B10 (0.54) PARP1HSD17B10KMT2AMEN1USP2
SCHEMBL26654751 0.80 HSD17B10 (0.53) HSD17B10CA2KMT2AMEN1USP2

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
EP-4524139-A1 IMIDAZOPYRIDAZINE SUBSTITUTED BENZENE RING DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE Shanghai Simr Biotechnology Co., Ltd. (CN) 2025-03-19 — — EP disclosed
CN-117069725-A Imidazopyridazine substituted benzene ring derivative, preparation method, pharmaceutical composition and application 上海赛默罗生物科技有限公司 2023-11-17 — — CN disclosed
WO-2023216753-A1 IMIDAZOPYRIDAZINE SUBSTITUTED BENZENE RING DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE 上海赛默罗生物科技有限公司 2023-11-16 — — WO disclosed
US-20210292305-A1 Cyclic Ureas SIRONAX LTD (KY) 2021-09-23 — — US disclosed
US-20210292305-A1 Cyclic Ureas SIRONAX LTD (KY) 2021-09-23 — — US disclosed
CN-113302183-A Cyclic ureas 圣瑞诺有限公司 2021-08-24 — — CN disclosed
US-8669249-B2 Poly (ADP-ribose) polymerase (PARP) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-11 — — US disclosed
US-8669249-B2 Poly (ADP-ribose) polymerase (PARP) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-11 — — US disclosed
US-8669249-B2 Poly (ADP-ribose) polymerase (PARP) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-11 — — US disclosed
US-20140031334-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-01-30 — — US disclosed
EP-2415767-A1 Poly (ADP-ribose) Polymerase (PARP) Inhibitors Takeda Pharmaceutical Company Limited (JP) 2012-02-08 — — EP disclosed
US-20120028920-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. 2012-02-02 — — US disclosed
EP-1919907-B9 HETEROCYCLIC COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-01-18 — — EP disclosed
US-8071600-B2 Derivatives of 4-piperazin-1-yl-4-benzo[B]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-12-06 — — US disclosed
EP-2287162-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders Otsuka Pharmaceutical Co., Ltd. (JP) 2011-02-23 — — EP disclosed
EP-2287161-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders Otsuka Pharmaceutical Co., Limited (JP) 2011-02-23 — — EP disclosed
EP-1919907-B1 HETEROCYCLIC COMPOUND OTSUKA PHARMA CO LTD (JP) 2011-02-23 — — EP disclosed
EP-2284169-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders Otsuka Pharmaceutical Co., Limited (JP) 2011-02-16 — — EP disclosed
WO-2010111626-A2 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 — — WO disclosed
US-20090264404-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-10-22 — — 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 (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-20120028920-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS GRIN2C, GRIN2B, PMP22 PARP1 3657/4885HTR1A 29/4885HTR7 261/4885
US-20140031334-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS GRIN2C, GRIN2B, PMP22 PARP1 3657/4885HTR1A 29/4885HTR7 261/4885
US-20090264404-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders GRIN2C, GRIN2B, PMP22 PARP1 3657/4885HTR1A 29/4885HTR7 261/4885
US-20210292305-A1 Cyclic Ureas RIPK1, RIPK3, RIPK4 PARP1 1205/4885HTR1A 2665/4885HTR7 4221/4885

“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.