SCHEMBL78948

SCHEMBL78948

Nc1nc2ccc(F)cc2s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 1.00
AXL P30530 1/20 1.00
RAB9A P51151 5/20 0.61
MAPT P10636 2/20 0.61
GAA P10253 2/20 0.61
HTT P42858 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
LMNA P02545 3/20 0.61
PKM P14618 3/20 0.61
SCN4A P35499 3/20 0.61
ALDH1A1 P00352 3/20 0.61
KDM4E B2RXH2 2/20 0.61
KMT2A Q03164 2/20 0.61
MAPK1 P28482 2/20 0.61
TDP1 Q9NUW8 2/20 0.61
MEN1 O00255 1/20 0.61
ALOX12 P18054 1/20 0.61
EPHX2 P34913 1/20 0.61
APP P05067 2/20 0.60
NPC1 O15118 4/20 0.56

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
Hydrochlorthiazide SCHEMBL9107171 0.84 GFER (0.71) GFERAXLRAB9AMAPTGAA
SCHEMBL29702533 0.84 GFER (0.72) GFERAXLRAB9AMAPTGAA
SCHEMBL103449 0.84 GFER (0.72) GFERAXLRAB9AMAPTGAA
Hydrochloric Acid SCHEMBL9715291 0.82 AXL (0.70) GFERAXLRAB9AMAPTGAA
SCHEMBL31114771 0.81 RAB9A (0.75) GFERAXLRAB9AMAPTGAA
SCHEMBL6067934 0.81 RAB9A (0.75) GFERAXLRAB9AMAPTGAA
SCHEMBL7130526 0.81 RAB9A (0.73) GFERAXLRAB9AMAPTGAA
SCHEMBL9255622 0.79 GFER (0.66) GFERAXLRAB9AMAPTGAA
SCHEMBL29646253 0.79 PIK3CA (0.82) GFERAXLRAB9AMAPTGAA
SCHEMBL334946 0.79 RAB9A (0.66) GFERAXLRAB9AMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3676261-B1 SUBSTITUTED 2-AZABICYCLO[3.1.1]HEPTANE AND 2-AZABICYCLO[3.2.1]OCTANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS CHRONOS THERAPEUTICS LTD (GB) 2024-12-18 EP claimed
EP-3758697-B1 NOVEL ANTIMYCOBACTERIAL HETEROCYCLIC AMIDES CRESTONE INC (US) 2024-10-16 EP claimed
CN-118772080-A Antimycobacterial heterocyclic amides 克莱斯通公司 2024-10-15 CN claimed
CN-117298108-A Androgen receptor and glucocorticoid receptor dual-target inhibitor and application thereof 浙江师范大学 2023-12-29 CN claimed
CN-117209448-A Process for the preparation of (benzo) thiazole-containing thio/selenoacetamides and derivatives thereof 济宁医学院 2023-12-12 CN claimed
CN-117126119-A Preparation method of (benzo) thiazole amide-containing compound 济宁医学院 2023-11-28 CN claimed
CN-115368352-A Glucokinase agonist and preparation method and application thereof 南京盛德瑞尔医药科技有限公司 2022-11-22 CN claimed
US-20220331299-A1 SUBSTITUTED 2-AZABICYCLO[3.1.1]HEPTANE AND 2-AZABICYCLO[3.2.1]OCTANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS CHRONOS THERAPEUTICS LIMITED (GB) 2022-10-20 US claimed
CN-113045993-A Polishing solution for processing ultra-smooth low-damage bearing steel surface and application thereof 西南交通大学 2021-06-29 CN claimed
CN-110229121-A A kind of synthetic method of N- alkyl (benzo) thiazole 济宁医学院 2019-09-13 CN claimed
EP-0797447-A1 HUMAN CANCER INHIBITORY PENTAPEPTIDE HETEROCYCLIC AND HALOPHENYL AMIDES ARIZONA BOARD OF REGENTS (US) 1997-10-01 EP claimed
US-5663149-A ANTICARCINOGENIC AGENTS RELATED TO DOLASTATIN ARIZONA BOARD OF REGENTS ACTING ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 1997-09-02 US claimed
WO-1997016428-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1997-05-09 WO claimed
WO-1996018408-A1 HUMAN CANCER INHIBITORY PENTAPEPTIDE HETEROCYCLIC AND HALOPHENYL AMIDES ARIZONA BOARD OF REGENTS (US) 1996-06-20 WO claimed
EP-0527186-A4 UNIV ILLINOIS (US) 1995-01-18 EP claimed
EP-0282971-B1 Substituted 2-aminobenzothiazoles and derivatives useful as cerebrovascular agents WARNER LAMBERT CO (US) 1994-12-28 EP claimed
EP-0527186-A1 PHOTODYNAMIC PLANT DEFOLIANTS AND CHLOROPHYLL BIOSYNTHESIS MODULATORS The Board of Trustees for the University of Illinois (US) 1993-02-17 EP claimed
WO-1991016820-A1 PHOTODYNAMIC PLANT DEFOLIANTS AND CHLOROPHYLL BIOSYNTHESIS MODULATORS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 1991-11-14 WO claimed
US-4826860-A STROKES WARNER-LAMBERT COMPANY (US) 1989-05-02 US claimed
EP-0282971-A2 Substituted 2-aminobenzothiazoles and derivatives useful as cerebrovascular agents WARNER-LAMBERT COMPANY (US) 1988-09-21 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20220331299-A1 SUBSTITUTED 2-AZABICYCLO[3.1.1]HEPTANE AND 2-AZABICYCLO[3.2.1]OCTANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R GFER 1734/4885AXL 305/4885RAB9A 2293/4885

“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.