SCHEMBL1127097

SCHEMBL1127097

O=[N+]([O-])c1ccccc1OCCBr

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.79
RAB9A P51151 4/20 0.79
RECQL P46063 2/20 0.79
ALDH1A1 P00352 8/20 0.60
KMT2A Q03164 3/20 0.60
LMNA P02545 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
KDM4E B2RXH2 4/20 0.56
MAPT P10636 3/20 0.56
MEN1 O00255 2/20 0.56
MAPK1 P28482 1/20 0.56
TDP1 Q9NUW8 1/20 0.55
HTT P42858 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
POLB P06746 1/20 0.52
KCNH2 Q12809 1/20 0.52
HPGD P15428 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL29707208 1.00 NPC1 (0.79) NPC1RAB9ARECQLALDH1A1KMT2A
SCHEMBL1942075 0.91 NPC1 (0.77) NPC1RAB9ARECQLALDH1A1KMT2A
SCHEMBL28087012 0.90 NPC1 (0.74) NPC1RAB9ARECQLALDH1A1KMT2A
SCHEMBL9187561 0.89 NPC1 (1.00) NPC1RAB9ARECQLALDH1A1KMT2A
SCHEMBL16056223 0.88 NPC1 (0.72) NPC1RAB9ARECQLALDH1A1KMT2A
SCHEMBL9642715 0.87 NPC1 (0.89) NPC1RAB9ARECQLALDH1A1KMT2A
SCHEMBL3647420 0.86 NPC1 (0.59) NPC1RAB9ARECQLALDH1A1KMT2A
SCHEMBL2307746 0.85 RAB9A (0.72) NPC1RAB9ARECQLALDH1A1KMT2A
SCHEMBL13531827 0.84 NPC1 (0.89) NPC1RAB9ARECQLALDH1A1KMT2A
SCHEMBL13435257 0.84 NPC1 (0.89) NPC1RAB9ARECQLALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220296722-A1 CONJUGATES AND CONJUGATES FOR USE IN PREVENTING OR TREATING OF BRAIN DAMAGE AND NEURODEGENERATIVE DISEASES MEDICORTEX FINLAND OY (FI) 2022-09-22 US disclosed
EP-4021510-A2 CONJUGATES AND CONJUGATES FOR USE IN PREVENTING OR TREATING OF BRAIN DAMAGE AND NEURODEGENERATIVE DISEASES Medicortex Finland Oy (FI) 2022-07-06 EP disclosed
EP-3958851-A1 ALLOSTERIC ACTIVATORS OF THE ALPHA IA-ADRENERGIC RECEPTOR The Cleveland Clinic Foundation (US) 2022-03-02 EP disclosed
CN-108947907-B Azobenzene-linked cyclic N-heterocyclic carbene silver complex and preparation method and application thereof 天津师范大学 2021-06-25 CN disclosed
CN-108947907-B Azobenzene-linked cyclic N-heterocyclic carbene silver complex and preparation method and application thereof 天津师范大学 2021-06-25 CN disclosed
WO-2021038125-A2 CONJUGATES AND CONJUGATES FOR USE IN PREVENTING OR TREATING OF BRAIN DAMAGE AND NEURODEGENERATIVE DISEASES MEDICORTEX FINLAND OY (FI) 2021-03-04 WO disclosed
WO-2020219720-A1 ALLOSTERIC ACTIVATORS OF THE ALPHA1A -ADRENERGIC RECEPTOR THE CLEVELAND CLINIC FOUNDATION (US) 2020-10-29 WO disclosed
US-20200087326-A1 DEEP RED FLUORESCENT PROBE THE UNIVERSITY OF TOKYO (JP) 2020-03-19 US disclosed
US-20200087326-A1 DEEP RED FLUORESCENT PROBE THE UNIVERSITY OF TOKYO (JP) 2020-03-19 US disclosed
CN-107353209-B There are the two phenoxy group flexible molecules and its preparation method and application of high-affinity with A β plaque block 北京师范大学 2019-07-19 CN disclosed
US-6124323-A ACTIVE DRUG TREATING STROKE, CEREBRAL ISCHEMIA, CENTRAL NERVOUS SYSTEM TRAUMA, HYPOGLYCEMIA, ANXIETY, CONVULSIONS, AMIOGLYCOSIDE ANTIBIOTICS-INDUCED HEARING LOSS, MIGRAINE HEADACHES, CHRONIC PAIN, GLAUCOMA, CMV RETINITIS, PSYCHOSIS WARNER-LAMBERT COMPANY (US) 2000-09-26 US disclosed
EP-0990643-A1 Luminescence indicator for determining calcium ions AVL Medical Instruments (CH) 2000-04-05 EP disclosed
EP-0869792-A4 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 1999-09-22 EP disclosed
US-5885997-A Heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them and their use in the treatment of diabetes and related diseases DR. REDDY'S RESEARCH FOUNDATION (IN) 1999-03-23 US disclosed
EP-0869792-A2 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-10-14 EP disclosed
WO-1997023216-A1 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-07-03 WO disclosed
EP-0245997-B1 N-SUBSTITUTED P-AMINOETHYLSULPHON ANILIDES AS ANTIARRHYTHMIC AGENTS, AND INTERMEDIATES THEREFOR Pfizer Limited (GB) 1992-04-15 EP disclosed
US-5079248-A Antifibrillatory agents; side effect reduction PFIZER INC. (US) 1992-01-07 US disclosed
US-4959366-A Anti-arrhythmic agents PFIZER INC. (US) 1990-09-25 US disclosed
EP-0245997-A2 N-substituted p-aminoethylsulphon anilides as antiarrhythmic agents, and intermediates therefor Pfizer Limited (GB) 1987-11-19 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-20200087326-A1 DEEP RED FLUORESCENT PROBE CASR, NCS1, CHERP NPC1 533/4885RAB9A 484/4885RECQL 2409/4885
US-20220296722-A1 CONJUGATES AND CONJUGATES FOR USE IN PREVENTING OR TREATING OF BRAIN DAMAGE AND NEURODEGENERATIVE DISEASES BDNF, PYGB, SI NPC1 864/4885RAB9A 1820/4885RECQL 2428/4885

“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.