SCHEMBL83975

SCHEMBL83975

CC(C)c1ccc(N)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.50
NOS2 P35228 2/20 0.50
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 2/20 0.39
GABRP O00591 2/20 0.39
GABRD O14764 2/20 0.39
GABRA1 P14867 2/20 0.39
GABRB1 P18505 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA3 P34903 2/20 0.39
GABRA2 P47869 2/20 0.39
GABRB2 P47870 2/20 0.39
GABRA4 P48169 2/20 0.39
GABRE P78334 2/20 0.39
GABRA6 Q16445 2/20 0.39
GABRG1 Q8N1C3 2/20 0.39

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
SCHEMBL31222667 1.00 NOS3 (0.50) NOS3NOS2KDM4EHSD17B10SMN1; SMN2
Cyanide SCHEMBL28324057 0.94 NOS3 (0.45) NOS3NOS2KDM4EHSD17B10SMN1; SMN2
SCHEMBL24703386 0.85 NOS3 (0.45) NOS3NOS2KDM4EHSD17B10SMN1; SMN2
SCHEMBL14647750 0.84 NOS3 (0.48) NOS3NOS2KDM4EHSD17B10SMN1; SMN2
SCHEMBL4328494 0.84 NOS3 (0.48) NOS3NOS2KDM4EHSD17B10SMN1; SMN2
SCHEMBL12349148 0.83 PIK3CD (0.57) NOS3NOS2KDM4EHSD17B10SMN1; SMN2
SCHEMBL6469008 0.82 NOS3 (0.46) NOS3NOS2KDM4EHSD17B10SMN1; SMN2
Hydrochloric Acid SCHEMBL23201276 0.82 NOS3 (0.46) NOS3NOS2KDM4EHSD17B10SMN1; SMN2
SCHEMBL23478507 0.82 NOS3 (0.46) NOS3NOS2KDM4EHSD17B10SMN1; SMN2
Hydrochloric Acid SCHEMBL30929411 0.82 NOS3 (0.46) NOS3NOS2KDM4EHSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250263431-A1 THERAPEUTICALLY ACTIVE STEROIDAL DERIVATIVES ORGANON R&D FINLAND LTD (FI) 2025-08-21 US disclosed
EP-4585265-A2 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN Takeda Pharmaceutical Company Limited (JP) 2025-07-16 EP disclosed
CN-120152973-A Protein tyrosine phosphatase inhibitors, compositions, and methods of use 百时美施贵宝公司 2025-06-13 CN disclosed
US-20250074889-A1 Novel Aminobenzene Derivative Having Cancer Cell Growth Inhibitory Effect, and Preventive or Therapeutic Pharmaceutical Composition Containing Same as Active Ingredient DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2025-03-06 US disclosed
EP-4464693-A1 NOVEL AMINOBENZENE DERIVATIVE HAVING CANCER CELL GROWTH INHIBITORY EFFECT, AND PREVENTIVE OR THERAPEUTIC PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT Daewoong Pharmaceutical Co., Ltd. (KR) 2024-11-20 EP disclosed
EP-3891167-B1 ESTRA-1,3,5(10)-TRIENE COMPOUNDS CONDENSED IN POSITION 16(17) WITH A PYRAZOLE RING AS INHIBITORS OF 17-HSD1 Organon R&D Finland Oy (FI) 2024-11-13 EP disclosed
US-20240309043-A1 THERAPEUTICALLY ACTIVE STEROIDAL DERIVATIVES ORGANON R&D FINLAND LTD (FI) 2024-09-19 US disclosed
CN-118632836-A Novel aminobenzene derivative having cancer cell growth inhibitory effect and preventive or therapeutic pharmaceutical composition containing the same as active ingredient 株式会社大熊制药 2024-09-10 CN disclosed
CN-118324761-A USP inhibitor, preparation method and application thereof 北京华森英诺生物科技有限公司 2024-07-12 CN disclosed
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-07-11 US disclosed
US-20070060582-A1 1,4-Disubstituted isoquinilone derivatives as raf-kinase inhibitors useful for the treatment of proliferative diseases FINK CYNTHIA A 2007-03-15 US disclosed
US-7157486-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2007-01-02 US disclosed
US-7157486-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2007-01-02 US disclosed
EP-1483265-B1 PURINE DERIVATIVES AS KINASE INHIBITORS LILLY CO ELI (US) 2006-11-22 EP disclosed
EP-1667980-A1 1,4-DISUBSTITUTED ISOQUINOLINE DERIVATIVES AS RAF-KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Novartis AG (CH) 2006-06-14 EP disclosed
CN-1639165-A Purine derivatives as kinase inhibitors LILLY CO ELI (US) 2005-07-13 CN disclosed
US-20050090483-A1 Purine derivatives as kinase inhibitors ELI LILLY AND COMPANY 2005-04-28 US disclosed
WO-2005028444-A1 1,4-DISUBSTITUTED ISOQUINILONE DERIVATIVES AS RAF-KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2005-03-31 WO disclosed
WO-2003084931-A1 5H-BENZO[4,5]CYCLOHEPTA[1,2-B]PYRIDINE NMDA/NR2B ANTAGONISTS MERCK & CO., INC. (US) 2003-10-16 WO disclosed
CN-1210105-A Process for preparation of 2,5-disubstituted pyridines HOFFMANN LA ROCHE (CH) 1999-03-10 CN 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-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK5, KLK1 NOS3 2141/4885NOS2 2940/4885KDM4E 796/4885
US-20050090483-A1 Purine derivatives as kinase inhibitors PNP, ADK, NME2 NOS3 2095/4885NOS2 2060/4885KDM4E 1308/4885
US-20240309043-A1 THERAPEUTICALLY ACTIVE STEROIDAL DERIVATIVES HSD17B11, NR5A1, CYP17A1 NOS3 871/4885NOS2 966/4885KDM4E 1654/4885
US-20250074889-A1 Novel Aminobenzene Derivative Having Cancer Cell Growth Inhibitory Effect, and Preventive or Therapeutic Pharmaceutical Composition Containing Same as Active Ingredient MKI67, CCNB1, ALDH7A1 NOS3 710/4885NOS2 348/4885KDM4E 889/4885
US-20070060582-A1 1,4-Disubstituted isoquinilone derivatives as raf-kinase inhibitors useful for the treatment of proliferative diseases BRAF, RAF1, NRAS NOS3 4096/4885NOS2 3310/4885KDM4E 1491/4885
US-20250263431-A1 THERAPEUTICALLY ACTIVE STEROIDAL DERIVATIVES HSD17B11, NR5A1, CYP17A1 NOS3 871/4885NOS2 966/4885KDM4E 1654/4885

“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.