SCHEMBL646003

SCHEMBL646003

N#Cc1c(F)cccc1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.51
RAB9A P51151 1/20 0.51
KDM1A O60341 2/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
VEGFA P15692 1/20 0.48
MRGPRX4 Q96LA9 2/20 0.48
HTR1A P08908 2/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
MAOB P27338 2/20 0.47
GRM2 Q14416 1/20 0.45
DRD2 P14416 1/20 0.44
SGMS2 Q8NHU3 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
SQOR Q9Y6N5 1/20 0.43

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
SCHEMBL1155271 0.90 NPC1 (0.55) NPC1RAB9AMAPTMAPK1MRGPRX4
SCHEMBL5741190 0.88 NPC1 (0.62) NPC1RAB9AMAPTMAPK1TDP1
SCHEMBL1154249 0.86 NPC1 (0.70) NPC1RAB9AMAPTL3MBTL1MRGPRX4
SCHEMBL1154971 0.86 NPC1 (0.51) NPC1RAB9AKDM1AMRGPRX4MAPK14
SCHEMBL1155280 0.86 NPC1 (0.51) NPC1RAB9AMRGPRX4MAOBMAPK14
SCHEMBL1154479 0.86 NPC1 (0.55) NPC1RAB9AKDM1AMAPTMAPK1
SCHEMBL1154507 0.86 MAPK14 (0.54) NPC1RAB9AL3MBTL1MRGPRX4MAOB
SCHEMBL1154474 0.84 CYP11B1 (0.43) NPC1RAB9AMAPTL3MBTL1MRGPRX4
SCHEMBL1154530 0.84 MAPK14 (0.46) NPC1RAB9AKDM1AMAPTMAPK1
SCHEMBL1154287 0.84 MCL1 (0.55) NPC1RAB9AMAPTTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0624567-B1 Derivatives of 3-fluorophenol, process for their preparation and their use CLARIANT GMBH (DE) 1999-12-08 EP claimed
EP-0624567-A2 Derivatives of 3-fluorophenol, process for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1994-11-17 EP claimed
EP-3750890-B1 ALKOXYBENZO-FIVE-MEMBERED (SIX-MEMBERED) HETEROCYCLIC AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF SHIJIAZHUANG YILING PHARMACEUTICAL CO LTD (CN) 2026-04-01 EP disclosed
US-11396504-B2 Alkoxybenzo-five-membered (six-membered) heterocyclic amine compound and pharmaceutical use thereof FUDAN UNIVERSITY (CN) 2022-07-26 US disclosed
CN-110117278-B Alkoxybenzo five-membered (six-membered) heterocyclic amine compound and pharmaceutical application thereof 石家庄以岭药业股份有限公司 2022-07-19 CN disclosed
US-20210032230-A1 Alkoxybenzo-five-membered (six-membered) heterocyclic amine compound and pharmaceutical use thereof SHIJIAZHUANG YILING PHARMACEUTICAL CO., LTD (CN) 2021-02-04 US disclosed
US-20210032230-A1 Alkoxybenzo-five-membered (six-membered) heterocyclic amine compound and pharmaceutical use thereof SHIJIAZHUANG YILING PHARMACEUTICAL CO., LTD (CN) 2021-02-04 US disclosed
EP-3750890-A1 ALKOXYBENZO-FIVE-MEMBERED (SIX-MEMBERED) HETEROCYCLIC AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Fudan University (CN) 2020-12-16 EP disclosed
EP-3750890-A1 ALKOXYBENZO-FIVE-MEMBERED (SIX-MEMBERED) HETEROCYCLIC AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Fudan University (CN) 2020-12-16 EP disclosed
WO-2019154047-A1 ALKOXYBENZO-FIVE-MEMBERED (SIX-MEMBERED) HETEROCYCLIC AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF 复旦大学 2019-08-15 WO disclosed
EP-3121176-A1 2,4-DIAMINOQUINAZOLINES FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY Families of Spinal Muscular Atrophy (US) 2017-01-25 EP disclosed
US-7888366-B2 2,4-diaminoquinazolines for spinal muscular atrophy FAMILIES OF SPINAL MUSCULAR ATROPHY (US) 2011-02-15 US disclosed
US-20080293776-A1 1,2,5-Thiazolidine Derivatives Useful for Treating Conditions Mediated by Protein Tyrosine Phosphatases (Ptpase) NOVARTIS AG (CH) 2008-11-27 US disclosed
EP-1963294-A1 1,2,5-THIAZOLIDINE DERIVATIVES USEFUL FOR TREATING CONDITIONS MEDIATED BY PROTEIN TYROSINE PHOSPHATASES (PTPASE) Novartis AG (CH) 2008-09-03 EP disclosed
WO-2007067613-A1 1,2,5-THIAZOLIDINE DERIVATIVES USEFUL FOR TREATING CONDITIONS MEDIATED BY PROTEIN TYROSINE PHOSPHATASES (PTPASE) NOVARTIS AG (CH) 2007-06-14 WO disclosed
EP-1765810-A1 2,4-DIAMINOQUINAZOLINES FOR SPINAL MUSCULAR ATROPHY Decode Chemistry, Inc. (US) 2007-03-28 EP disclosed
WO-2005123724-A1 2,4-DIAMINOQUINAZOLINES FOR SPINAL MUSCULAR ATROPHY DECODE CHEMISTRY, INC. (US) 2005-12-29 WO disclosed
US-20050288314-A1 2,4-diaminoquinazolines for spinal muscular atrophy DECODE CHEMISTRY, INC. (US) 2005-12-29 US disclosed
EP-0624567-B1 Derivatives of 3-fluorophenol, process for their preparation and their use CLARIANT GMBH (DE) 1999-12-08 EP disclosed
EP-0624567-A2 Derivatives of 3-fluorophenol, process for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1994-11-17 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 (4 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-20050288314-A1 2,4-diaminoquinazolines for spinal muscular atrophy SMN1; SMN2, MUSK, MYO3B NPC1 4388/4885RAB9A 1250/4885KDM1A 508/4885
US-20080293776-A1 1,2,5-Thiazolidine Derivatives Useful for Treating Conditions Mediated by Protein Tyrosine Phosphatases (Ptpase) PTPRS, PTPN5, PTPRR NPC1 3005/4885RAB9A 3137/4885KDM1A 2902/4885
US-20210032230-A1 Alkoxybenzo-five-membered (six-membered) heterocyclic amine compound and pharmaceutical use thereof LIPC, GPR119, VIP NPC1 436/4885RAB9A 2012/4885KDM1A 1871/4885
US-11396504-B2 Alkoxybenzo-five-membered (six-membered) heterocyclic amine compound and pharmaceutical use thereof LIPC, GPR119, VIP NPC1 436/4885RAB9A 2012/4885KDM1A 1871/4885

“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.