SCHEMBL1021074

SCHEMBL1021074

O=C(Cl)c1cccc2c1OCC2

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.72
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
MGLL Q99685 1/20 0.42
RORC P51449 1/20 0.39
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK14 Q16539 1/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
SSTR4 P31391 1/20 0.36
DAO P14920 1/20 0.36

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
SCHEMBL729580 0.84 PARP1 (0.74) PARP1HCRTR1HCRTR2MGLLRORC
SCHEMBL1502069 0.84 PARP1 (1.00) PARP1HCRTR1HCRTR2MGLLRORC
SCHEMBL3360298 0.82 PARP1 (0.72) PARP1HCRTR1HCRTR2MGLLRORC
Hydrochloric Acid SCHEMBL7265489 0.82 PARP1 (0.72) PARP1HCRTR1HCRTR2MGLLRORC
SCHEMBL14114432 0.81 PARP1 (0.66) PARP1HCRTR1HCRTR2MGLLRORC
SCHEMBL21804730 0.81 PARP1 (0.70) PARP1HCRTR1HCRTR2MGLLRORC
SCHEMBL14880539 0.79 PARP1 (0.68) PARP1HCRTR1HCRTR2MGLLMAPK14
SCHEMBL25891319 0.79 PARP1 (0.68) PARP1HCRTR1HCRTR2MGLLRORC
Oxalic Acid SCHEMBL17978250 0.79 PARP1 (0.90) PARP1HCRTR1HCRTR2MGLLRORC
SCHEMBL8876227 0.78 PARP1 (0.50) PARP1ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12247027-B2 P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2025-03-11 US disclosed
US-20240116930-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-04-11 US disclosed
US-11820770-B2 P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
CN-112010864-B Vascular endothelial growth factor receptor inhibitor and preparation method and application thereof 江苏威凯尔医药科技有限公司 2022-08-26 CN disclosed
US-20220213095-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2022-07-07 US disclosed
US-11225478-B2 P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2022-01-18 US disclosed
CN-110003200-B P2X7 modulators 詹森药业有限公司 2021-11-26 CN disclosed
CN-110577546-B VEGFR inhibitor and preparation method and application thereof 江苏威凯尔医药科技有限公司 2021-09-07 CN disclosed
CN-112010864-A Vascular endothelial growth factor receptor inhibitor and preparation method and application thereof 江苏威凯尔医药科技有限公司 2020-12-01 CN disclosed
US-20200325138-A1 P2X7 Modulators JANSSEN PHARMACEUTICA NV (BE) 2020-10-15 US disclosed
WO-2007090617-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES NV REMYND (BE) 2007-08-16 WO disclosed
EP-1804786-A2 SUBSTITUTED N-ARYL-9-OXO-9H-FLUORENE-1-CARBOXAMIDES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS Cytovia, Inc. (US) 2007-07-11 EP disclosed
WO-2007054292-A2 AZONAFIDE DERIVATIVES, METHODS FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS THEREFROM UNIBIOSCREEN S.A. (BE) 2007-05-18 WO disclosed
WO-2006039356-A2 SUBSTITUTED N-ARYL-9-OXO-9H-FLUORENE-1-CARBOXAMIDES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS CYTOVIA, INC. (US) 2006-04-13 WO disclosed
EP-0994876-B1 QUATERNARY AMMONIUM COMPOUNDS AS TACHYKININ ANTAGONISTS PFIZER LTD (GB) 2004-09-08 EP disclosed
US-6380396-B1 CHEMICAL INTERMEDIATES FOR ANTIINFLAMMATORY AGENTS PFIZER INC. 2002-04-30 US disclosed
US-6207678-B1 USED FOR TREATING INFLAMMATORY DISEASE SUCH AS ARTHRITIS, PSORIASIS, ASTHMA OR INFLAMMATORY BOWEL DISEASE, CENTRAL NERVOUS SYSTEM DISORDER SUCH AS ANXIETY, DEPRESSION, DEMENTIA OR PSYCHOSIS, GASTROINTESTINAL DISORDERS PFIZER INC 2001-03-27 US disclosed
EP-0994876-A1 QUATERNARY AMMONIUM COMPOUNDS AS TACHYKININ ANTAGONISTS Pfizer Limited (GB) 2000-04-26 EP disclosed
WO-1998057972-A1 QUATERNARY AMMONIUM COMPOUNDS AS TACHYKININ ANTAGONISTS PFIZER LIMITED (GB) 1998-12-23 WO disclosed
WO-1998007722-A1 QUATERNARY AMMONIUM COMPOUNDS AS TACHYKININ ANTAGONIST PFIZER LIMITED (GB) 1998-02-26 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 (6 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-20200325138-A1 P2X7 Modulators P2RX2, P2RX7, P2RY2 PARP1 2827/4885HCRTR1 402/4885HCRTR2 128/4885
US-12247027-B2 P2X7 modulators P2RX2, P2RX7, P2RY2 PARP1 2827/4885HCRTR1 402/4885HCRTR2 128/4885
US-11225478-B2 P2X7 modulators P2RX2, P2RX7, P2RY2 PARP1 2827/4885HCRTR1 402/4885HCRTR2 128/4885
US-11820770-B2 P2X7 modulators P2RX2, P2RX7, P2RY2 PARP1 2827/4885HCRTR1 402/4885HCRTR2 128/4885
US-20220213095-A1 P2X7 MODULATORS P2RX2, P2RX7, P2RY2 PARP1 2827/4885HCRTR1 402/4885HCRTR2 128/4885
US-20240116930-A1 P2X7 MODULATORS P2RX2, P2RX7, P2RY2 PARP1 2827/4885HCRTR1 402/4885HCRTR2 128/4885

“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.