SCHEMBL5224535

SCHEMBL5224535

[C]1C=CCc2ccccc2N1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.32
AHR P35869 1/20 0.32
PDK2 Q15119 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
HK1 P19367 1/20 0.32
MAPK1 P28482 1/20 0.32
RECQL P46063 1/20 0.32
RAB9A P51151 1/20 0.32
GALK1 P51570 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PLAU P00749 1/20 0.31
MAPK13 O15264 1/20 0.31

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
SCHEMBL447750 0.70 NPC1 (0.34) NPC1AHRPDK2KDM4EMEN1
SCHEMBL29504825 0.67 PLAU (0.43) NPC1AHRPDK2KDM4EMEN1
SCHEMBL170456 0.67 PLAU (0.43) NPC1AHRPDK2KDM4EMEN1
Hydrochloric Acid SCHEMBL10824104 0.65 PLAU (0.42) NPC1AHRPDK2KDM4EMEN1
SCHEMBL31312839 0.65 PLAU (0.42) NPC1AHRPDK2KDM4EMEN1
SCHEMBL8827973 0.65 PLAU (0.42) NPC1AHRPDK2KDM4EMEN1
SCHEMBL448757 0.65 ALOX15 (0.43) NPC1AHRPDK2KDM4EMEN1
SCHEMBL19678 0.64
SCHEMBL450305 0.64 NPC1 (0.33) NPC1AHRPDK2KDM4EMEN1
SCHEMBL30524928 0.64 NPC1 (0.33) NPC1AHRPDK2KDM4EMEN1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1326611-B1 AZA- AND POLYAZA-NAPHTHALENYL-CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2007-06-13 EP claimed
EP-0748805-B1 Naphthalene derivatives, process for the preparation thereof, and intermediates therefor, and pharmaceutical compositions comprising them TANABE SEIYAKU CO (JP) 1998-04-08 EP claimed
EP-0748805-A1 Naphthalene derivatives, process for the preparation thereof, and intermediates therefor, and pharmaceutical compositions comprising them TANABE SEIYAKU CO., LTD. (JP) 1996-12-18 EP claimed
CN-114174299-A Degradation of Bruton's Tyrosine Kinase (BTK) by conjugation of BTK inhibitors to E3 ligase ligands and methods of use 百济神州有限公司 2022-03-11 CN disclosed
US-20220040318-A1 PRIMARY AMINE COMPOUND OR SECONDARY AMINE COMPOUND-ACIDIC POLYSACCHARIDE CONJUGATE AND PRODUCTION METHOD THEREFOR SEIKAGAKU CORPORATION (JP) 2022-02-10 US disclosed
US-20200138964-A1 TERTIARY AMINE COMPOUND OR IMINE COMPOUND-POLYMER CONJUGATE AND PRODUCTION METHOD THEREFOR SEIKAGAKU CORPORATION (JP) 2020-05-07 US disclosed
EP-1326611-B1 AZA- AND POLYAZA-NAPHTHALENYL-CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2007-06-13 EP disclosed
US-6214996-B1 SHOWING EXCELLENT BRONCHIOCONSTRICTION INHIBITORY ACTIVITY,USEFUL IN THE PROPHYLAXIS OR TREATNEBT OF ASTHMA TANABE SEIYAKU CO., LTD. (JP) 2001-04-10 US disclosed
US-6005106-A BRONCHOCONSTRICTOR AGENTS USEFUL IN THE TREATMENT OF ASTHMA TANABE SEIYAKU CO., LTD. (JP) 1999-12-21 US disclosed
US-5969140-A AMINOPYRIDINE DERIVATIVES OF NAPHTHALENE FOR TREATMENT OF ASTHMA AND BRONCHOCONSTRICTOR INHIBITORS TANABE SEIYAKU CO., LTD. (JP) 1999-10-19 US disclosed
EP-0748805-B1 Naphthalene derivatives, process for the preparation thereof, and intermediates therefor, and pharmaceutical compositions comprising them TANABE SEIYAKU CO (JP) 1998-04-08 EP disclosed
EP-0748805-A1 Naphthalene derivatives, process for the preparation thereof, and intermediates therefor, and pharmaceutical compositions comprising them TANABE SEIYAKU CO., LTD. (JP) 1996-12-18 EP 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 (2 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-20200138964-A1 TERTIARY AMINE COMPOUND OR IMINE COMPOUND-POLYMER CONJUGATE AND PRODUCTION METHOD THEREFOR SOAT1, SLC7A1, ODC1 NPC1 668/4885AHR 1592/4885PDK2 3082/4885
US-20220040318-A1 PRIMARY AMINE COMPOUND OR SECONDARY AMINE COMPOUND-ACIDIC POLYSACCHARIDE CONJUGATE AND PRODUCTION METHOD THEREFOR ALG1, NGLY1, SAT1 NPC1 2819/4885AHR 3224/4885PDK2 1095/4885

“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.