Sugi Predict

Sugi Predict / Compounds / SCHEMBL533032

SCHEMBL533032

SCHEMBL533032

CNC(=O)c1ccc(N2CCNCC2)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 3/20 0.47
▸ PARP2 Q9UGN5 1/20 0.47
▸ TNK1 Q13470 1/20 0.46
▸ ADRB1 P08588 2/20 0.45
▸ MAPT P10636 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ DDR1 Q08345 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ CHRM1 P11229 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ DRD2 P14416 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ HTR2A P28223 1/20 0.42

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
SCHEMBL30542907 1.00 PARP1 (0.47) PARP1PARP2TNK1ADRB1MAPT
Hydrochloric Acid SCHEMBL716532 0.99 PARP1 (0.46) PARP1PARP2TNK1ADRB1MAPT
SCHEMBL532443 0.86 HTR3A (0.51) PARP1ADRB1MAPTALDH1A1POLB
SCHEMBL532249 0.85 PARP1 (0.51) PARP1TNK1DDR1CHRM1DRD2
SCHEMBL531761 0.85 PKM (0.49) ADRB1MAPTALDH1A1POLBDDR1
SCHEMBL30542902 0.84 MAPT (0.50) PARP1TNK1MAPTALDH1A1SMN1; SMN2
SCHEMBL531792 0.84 MAPT (0.50) PARP1TNK1MAPTALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL710272 0.84 HTR3A (0.50) PARP1ADRB1MAPTALDH1A1POLB
Hydrochloric Acid SCHEMBL711929 0.84 PARP1 (0.50) PARP1TNK1DDR1CHRM1DRD2
SCHEMBL3922628 0.84 ALDH1A1 (0.49) ADRB1MAPTALDH1A1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11993585-B2 Poly-ADP ribose polymerase (PARP) inhibitors MITOBRIDGE, INC. (US) 2024-05-28 — — US disclosed
CN-116710433-A Selective PARP1 inhibitor and application thereof 成都百裕制药股份有限公司 2023-09-05 — — CN disclosed
WO-2022222966-A1 SELECTIVE PARP1 INHIBITOR AND APPLICATION THEREOF 成都百裕制药股份有限公司 2022-10-27 — — WO disclosed
CN-110167926-B Poly-ADP ribose polymerase (PARP) inhibitors 米托布里奇公司 2022-09-13 — — CN disclosed
US-20220033380-A1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS Astellas Engineered Small Molecules US, Incorporated 2022-02-03 — — US disclosed
US-20220033380-A1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS Astellas Engineered Small Molecules US, Incorporated 2022-02-03 — — US disclosed
US-11034670-B2 Poly-ADP ribose polymerase (PARP) inhibitors MITOBRIDGE, INC. (US) 2021-06-15 — — US disclosed
US-11034670-B2 Poly-ADP ribose polymerase (PARP) inhibitors MITOBRIDGE, INC. (US) 2021-06-15 — — US disclosed
EP-3562822-B1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS MITOBRIDGE INC (US) 2021-03-10 — — EP disclosed
US-20200071299-A1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS Astellas Engineered Small Molecules US, Incorporated 2020-03-05 — — US disclosed
US-7928105-B2 Substituted 6a,7,8,9-tetrahydropyrido[3,2-e]pyrrolo[1,2-a]pyrazin-6(5H)-ones TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-04-19 — — US disclosed
US-7928105-B2 Substituted 6a,7,8,9-tetrahydropyrido[3,2-e]pyrrolo[1,2-a]pyrazin-6(5H)-ones TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-04-19 — — US disclosed
WO-2011014681-A1 Poly (ADP-Ribose) Polymerase (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 — — WO disclosed
WO-2011014681-A1 Poly (ADP-Ribose) Polymerase (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 — — WO disclosed
WO-2010111626-A2 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 — — WO disclosed
US-20100190763-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 — — US disclosed
US-20100190763-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 — — US disclosed
US-20100190763-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 — — US disclosed
WO-2010085570-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 — — WO disclosed
WO-2010085570-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 — — 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 (5 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-20220033380-A1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS PARP1, PARP2, PARP11 PARP1 1/4885PARP2 2/4885TNK1 2856/4885
US-20100190763-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors PARP1, PARP3, PARP2 PARP1 1/4885PARP2 3/4885TNK1 1332/4885
US-11993585-B2 Poly-ADP ribose polymerase (PARP) inhibitors PARP1, PARP2, PARP11 PARP1 1/4885PARP2 2/4885TNK1 2856/4885
US-11034670-B2 Poly-ADP ribose polymerase (PARP) inhibitors PARP1, PARP2, PARP11 PARP1 1/4885PARP2 2/4885TNK1 2856/4885
US-20200071299-A1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS PARP1, PARP2, PARP11 PARP1 1/4885PARP2 2/4885TNK1 2856/4885

“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.