SCHEMBL6006312

SCHEMBL6006312

OC(CBr)CN1c2ccccc2Sc2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.65
PTGS2 P35354 2/20 0.65
KMT2A Q03164 4/20 0.62
MEN1 O00255 3/20 0.62
RAB9A P51151 1/20 0.58
MAPT P10636 5/20 0.56
LMNA P02545 5/20 0.56
ALDH1A1 P00352 4/20 0.56
HTT P42858 2/20 0.56
TP53 P04637 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
HCRTR1 O43613 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
TSHR P16473 1/20 0.55
CYP2D6 P10635 3/20 0.53
CHRM2 P08172 3/20 0.53
HTR1A P08908 3/20 0.53
ADRA2A P08913 3/20 0.53
CHRM1 P11229 3/20 0.53
DRD1 P21728 3/20 0.53

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
SCHEMBL7144824 0.84 PTGS1 (0.67) PTGS1PTGS2KMT2AMEN1RAB9A
SCHEMBL31298153 0.79 PTGS1 (1.00) PTGS1PTGS2KMT2AMEN1RAB9A
SCHEMBL9396083 0.79 PTGS1 (1.00) PTGS1PTGS2KMT2AMEN1RAB9A
SCHEMBL13167012 0.79 KMT2A (0.97) PTGS1PTGS2KMT2AMEN1RAB9A
SCHEMBL11687530 0.75 PTGS1 (0.69) PTGS1PTGS2KMT2AMEN1MAPT
SCHEMBL25076573 0.74 FPR2 (0.75) PTGS1PTGS2KMT2AMEN1MAPT
SCHEMBL16316914 0.74 PTGS1 (0.73) PTGS1PTGS2KMT2AMEN1MAPT
SCHEMBL12859106 0.74 RAB9A (1.00) PTGS1PTGS2KMT2AMEN1RAB9A
Ammonia Solution, Strong SCHEMBL11617958 0.74 PTGS1 (0.67) PTGS1PTGS2KMT2AMEN1MAPT
SCHEMBL13283186 0.73 RAB9A (0.62) PTGS1PTGS2KMT2AMEN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060287298-A1 Pharmaceutical for treatment of neurological and neuropsychiatric disorders ALLELIX NEUROSCIENCE INC. 2006-12-21 US disclosed
EP-1014966-B1 PHARMACEUTICAL FOR TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS ALLELIX NEUROSCIENCE INC (US) 2006-08-02 EP disclosed
US-7019024-B2 Pharmaceutical for treatment of neurological and neuropsychiatric disorders ALLELIX NEUROSCIENCE INC. (US) 2006-03-28 US disclosed
CN-1327383-A Pharmaceutical for treatment of neurological and neuropsychiatric disorders ALERICS NEUROSCIENCE CO (US) 2001-12-19 CN disclosed
US-6191165-B1 ANTIDEPRESSANTS; SCHIZOPHRENIA; ALZHEIMER'S DISEASE; ANTIEPILEPTIC AGENTS ALLELIX NEUROSCIENCE INC. 2001-02-20 US 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 (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-20060287298-A1 Pharmaceutical for treatment of neurological and neuropsychiatric disorders SLC18A2, SLC6A1, SLC6A11 PTGS1 1509/4885PTGS2 1335/4885KMT2A 476/4885

“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.