SCHEMBL1680730

SCHEMBL1680730

O=Cc1ccn(-c2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COMT P21964 2/20 0.48
ALDH1A1 P00352 4/20 0.46
CYP2A6 P11509 1/20 0.46
ATM Q13315 1/20 0.42
P2RX7 Q99572 1/20 0.40
DRD4 P21917 3/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA3 P42263 1/20 0.38
GRIA4 P48058 1/20 0.38
CYP3A4 P08684 1/20 0.36
PTGS2 P35354 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 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
SCHEMBL6630210 0.89 MEN1 (0.43) COMTALDH1A1CYP2A6DRD4DRD2
SCHEMBL18003310 0.86 DRD4 (0.43) COMTALDH1A1CYP2A6ATMDRD4
SCHEMBL27652669 0.84 COMT (0.37) COMTALDH1A1CYP2A6ATMP2RX7
SCHEMBL18003313 0.84 MGLL (0.47) COMTALDH1A1CYP2A6MGLLKDM4E
SCHEMBL18003090 0.83 CA12 (0.52) COMTALDH1A1ATMTUBB4ATUBB
SCHEMBL18003036 0.82 COMT (0.41) COMTALDH1A1CYP2A6ATMDRD4
SCHEMBL10618903 0.82 TTR (0.40) COMTMGLL
SCHEMBL12120935 0.81 ALDH1A1 (0.53) COMTALDH1A1ATMP2RX7DRD4
SCHEMBL5126021 0.80 FAAH (0.39) ALDH1A1GRIA1GRIA2GRIA3GRIA4
SCHEMBL6052596 0.80 MGLL (0.39) ALDH1A1ATMGRIA1GRIA2GRIA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250066347-A1 SUBSTITUTED THIAZOLIDINEDIONE DERIVATIVE COMPOUND, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER, COMPRISING SAME MEDIFIC, INC. (KR) 2025-02-27 US disclosed
EP-4455143-A1 SUBSTITUTED THIAZOLIDINEDIONE DERIVATIVE COMPOUND, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER, COMPRISING SAME Medific, Inc. (KR) 2024-10-30 EP disclosed
CN-118591539-A Substituted thiazolidinedione derivative compounds and pharmaceutical composition for preventing or treating cancer comprising the same (株)美迪菲 2024-09-03 CN disclosed
WO-2023121184-A1 SUBSTITUTED THIAZOLIDINEDIONE DERIVATIVE COMPOUND, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER, COMPRISING SAME (주)메디픽 2023-06-29 WO disclosed
WO-2023121184-A1 SUBSTITUTED THIAZOLIDINEDIONE DERIVATIVE COMPOUND, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER, COMPRISING SAME (주)메디픽 2023-06-29 WO disclosed
WO-2019152731-A1 ANDROGEN RECEPTOR ANTAGONISTS ALPINE ANDROSCIENCES, INC. (US) 2019-08-08 WO disclosed
CN-105085484-B A kind of preparation method of Vonoprazan fumarate 南京济群医药科技股份有限公司 2017-11-24 CN disclosed
US-9284350-B2 IAP BIR domain binding compounds PHARMASCIENCE INC. (CA) 2016-03-15 US disclosed
CN-105085484-A Preparation method of vonoprazan fumarate NANJING GRITPHARMA CO LTD 2015-11-25 CN disclosed
US-20150166523-A1 BRANCHED CHAIN ALKYL HETEROAROMATIC RING DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-06-18 US disclosed
US-20030212094-A1 Novel cyclic amide derivatives MITSUBISHI PHARMA CORPORATION (JP) 2003-11-13 US disclosed
EP-1260512-A1 NOVEL CYCLIC AMIDE DERIVATIVES Mitsubishi Pharma Corporation (JP) 2002-11-27 EP disclosed
US-6444833-B1 COORDINATION POLYMERIZATION CATALYSTS BASELL TECHNOLOGY COMPANY BV (NL) 2002-09-03 US disclosed
CN-1347424-A Metallocene compounds, process for their preparation and their use in catalytic systems for polymerization of olefins BASELL TECHNOLOGY CO B V (NL) 2002-05-01 CN disclosed
US-6002005-A Certain 1-substituted aminomethyl imidazole and pyrrole derivatives: novel dopamine receptor subtype specific ligands NEUROGEN CORPORATION (US) 1999-12-14 US disclosed
US-5760234-A THERAPY FOR NERVOUS SYSTEM DISORDERS NEUROGEN CORPORATION (US) 1998-06-02 US disclosed
US-5750700-A COMPOUNDS FOR TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS SUCH AS SCHIZOPHRENIA, NEUROLEPTIC AGENTS FOR BINDING TO DOPAMINE RECEPTORS NEUROGEN CORPORATION (US) 1998-05-12 US disclosed
WO-1996016057-A1 CERTAIN 1-SUBSTITUTED AMINOMETHYL IMIDAZOLE AND PYRROLE DERIVATIVES; NOVEL DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 1996-05-30 WO disclosed
US-5478934-A Treating central nervous system disorders NEUROGEN CORPORATION 1995-12-26 US disclosed
US-4792568-A LIPOXYGENASE INHIBITORS RORER PHARMACEUTICAL CORPORATION (US) 1988-12-20 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 (3 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-20150166523-A1 BRANCHED CHAIN ALKYL HETEROAROMATIC RING DERIVATIVE HCRTR2, HCRTR1, HTR2B COMT 461/4885ALDH1A1 881/4885CYP2A6 876/4885
US-20030212094-A1 Novel cyclic amide derivatives SIGMAR1, OPRM1, OPRD1 COMT 3065/4885ALDH1A1 690/4885CYP2A6 477/4885
US-20250066347-A1 SUBSTITUTED THIAZOLIDINEDIONE DERIVATIVE COMPOUND, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER, COMPRISING SAME SREBF1, SREBF2, SP1 COMT 4172/4885ALDH1A1 1168/4885CYP2A6 2857/4885

“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.