SCHEMBL329571

SCHEMBL329571

Nc1cccc2c1CCNC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CD44 P16070 2/20 1.00
PNMT P11086 4/20 0.52
MAOB P27338 1/20 0.52
PARP1 P09874 1/20 0.44
PRCP P42785 1/20 0.43
HTR2C P28335 2/20 0.41
GID4 Q8IVV7 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
SCHEMBL29771844 1.00 CD44 (1.00) CD44PNMTMAOBPARP1PRCP
Hydrochloric Acid SCHEMBL4506036 0.98 CD44 (0.96) CD44PNMTMAOBPARP1PRCP
Hydrochloric Acid SCHEMBL4520528 0.98 CD44 (0.96) CD44PNMTMAOBPARP1PRCP
SCHEMBL509247 0.86 CD44 (0.75) CD44PNMTMAOBPARP1PRCP
SCHEMBL3659651 0.84 CD44 (0.72) CD44PNMTMAOBPRCPHTR2C
SCHEMBL30156803 0.84 CD44 (0.72) CD44PNMTMAOBPRCPHTR2C
Hydrochloric Acid SCHEMBL4516826 0.82 CD44 (0.70) CD44PNMTMAOBPRCPHTR2C
SCHEMBL329619 0.81 CD44 (0.68) CD44PNMTMAOBPARP1PRCP
SCHEMBL29805405 0.81 CD44 (0.68) CD44PNMTMAOBPARP1PRCP
SCHEMBL11327051 0.77 CD44 (0.62) CD44PNMTMAOBPARP1PRCP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250221979-A1 NOVEL HETEROCYCLIC COMPOUND SHOUYAO HOLDINGS BEIJING CO LTD (CN) 2025-07-10 US disclosed
EP-4501912-A1 NOVEL HETEROCYCLIC COMPOUND Shouyao Holdings (Beijing) Co., Ltd. (CN) 2025-02-05 EP disclosed
CN-118976029-A Pharmaceutical composition for preventing or treating parkinson's disease or nonalcoholic steatohepatitis 韩国化学研究院 2024-11-19 CN disclosed
US-20240270698-A2 NOVEL PYRIMIDINE DERIVATIVE AND USE THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2024-08-15 US disclosed
CN-114829344-B Pyrimidine derivatives and pharmaceutical compositions containing the same 韩国化学研究院 2024-08-13 CN disclosed
WO-2024049929-A2 PANNEXIN-1 MODULATORS AND METHODS OF TREATING DISORDERS IN WHICH PANNEXIN-1 IS IMPLICATED PANNEX THERAPEUTICS INC. (US) 2024-03-07 WO disclosed
US-20230348399-A1 NOVEL PYRIMIDINE DERIVATIVE AND USE THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2023-11-02 US disclosed
US-20230348399-A1 NOVEL PYRIMIDINE DERIVATIVE AND USE THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2023-11-02 US disclosed
US-20230348399-A1 NOVEL PYRIMIDINE DERIVATIVE AND USE THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2023-11-02 US disclosed
WO-2023185811-A1 NOVEL HETEROCYCLIC COMPOUND 首药控股(北京)股份有限公司 2023-10-05 WO disclosed
WO-1997048683-A1 SUBSTITUTED BENZAMIDE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1997-12-24 WO disclosed
US-5599816-A BACTERICIDE ABBOTT LABORATORIES (US) 1997-02-04 US disclosed
WO-1996039407-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1996-12-12 WO disclosed
US-5580872-A ADMINISTERING IN THE TREATMENT OF BACTERIAL INFECTIONS ABBOTT LABORATORIES (US) 1996-12-03 US disclosed
EP-0723545-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1996-07-31 EP disclosed
WO-1995010519-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1995-04-20 WO disclosed
EP-0266949-B1 TETRAHYDROISOQUINOLIN-2-YL DERIVATIVES OF CARBOXYLIC ACIDS AS THROMBOXANE A2 ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-11-28 EP disclosed
US-4812573-A ARYLSULFONAMIDE SUBSTITUTED TETRAHYDROISOQUINOLINYLALKANOIC ACIDS AS THROMBOXANE A2 ANTAGONISTS SMITHKLINE & FRENCH LABORATORIES, LTD. (GB) 1989-03-14 US disclosed
EP-0266949-A1 Tetrahydroisoquinolin-2-yl derivatives of carboxylic acids as thromboxane A2 antagonists SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1988-05-11 EP disclosed
WO-1988003137-A1 TETRAHYDROISOQUINOLIN-2-YL DERIVATIVES OF CARBOXYLIC ACIDS AS THROMBOXANE A2 ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1988-05-05 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 (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-20250221979-A1 NOVEL HETEROCYCLIC COMPOUND MAPT, MNAT1, MAT2A CD44 3096/4885PNMT 3100/4885MAOB 593/4885
US-20240270698-A2 NOVEL PYRIMIDINE DERIVATIVE AND USE THEREOF LRRK2, PFKL, PDK3 CD44 4875/4885PNMT 2410/4885MAOB 1087/4885
US-20230348399-A1 NOVEL PYRIMIDINE DERIVATIVE AND USE THEREOF LRRK2, PFKL, PDK3 CD44 4875/4885PNMT 2410/4885MAOB 1087/4885

“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.