SCHEMBL10344359

SCHEMBL10344359

O=S(O)c1cccc(OC(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 1/20 0.44
KMT2A Q03164 4/20 0.42
NPSR1 Q6W5P4 4/20 0.42
MEN1 O00255 3/20 0.42
MAPT P10636 3/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 2/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
TAS2R14 Q9NYV8 1/20 0.42
GRM4 Q14833 2/20 0.41
MEP1B Q16820 1/20 0.41
ATM Q13315 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
HTT P42858 2/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KCNJ5 P48544 1/20 0.39

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
SCHEMBL615339 0.98 DRD1 (0.43) DRD1KMT2ANPSR1MEN1MAPT
SCHEMBL615338 0.81 DRD1 (0.43) DRD1KMT2ANPSR1MEN1MAPT
SCHEMBL10344177 0.79 CYP11B1 (0.43) MAPTRAB9AHTTALOX15NPC1
SCHEMBL1584430 0.77 CYP11B1 (0.42) MAPTRAB9AHTTALOX15NPC1
SCHEMBL13948945 0.77 ALOX15 (0.47) DRD1KMT2AMEN1MAPTRAB9A
SCHEMBL665658 0.76 CES2 (0.50) KMT2AMEN1RAB9ALMNANPC1
SCHEMBL3936037 0.76 ALOX15 (0.46) DRD1KMT2AMEN1MAPTRAB9A
SCHEMBL23531757 0.74 AKR1C3 (0.52) KMT2AMEN1HTTPOLBNPC1
SCHEMBL7520330 0.74 CES2 (0.48) KMT2AMEN1RAB9ALMNANPC1
SCHEMBL1584064 0.74 CES2 (0.48) KMT2AMEN1RAB9ALMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9067949-B2 Benzofuro[3,2-c] pyridines and related analogs as serotonin sub-type 6 (5-HT6) modulators for the treatment of obesity, metabolic syndrome, cognition and schizophrenia ALBANY MOLECULAR RESEARCH, INC. (US) 2015-06-30 US disclosed
US-8575186-B2 Epiminocycloalkyl[b] indole derivatives as serotonin sub-type 6 (5-HT6) modulators and uses thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2013-11-05 US disclosed
US-20120184531-A1 BENZOFURO[3,2-c] PYRIDINES AND RELATED ANALOGS AS SEROTONIN SUB-TYPE 6 (5-HT6) MODULATORS FOR THE TREATMENT OF OBESITY, METABOLIC SYNDROME, COGNITION AND SCHIZOPHRENIA ALBANY MOLECULAR RESEARCH, INC. (US) 2012-07-19 US disclosed
US-20110112122-A1 EPIMINOCYCLOALKYL[b] INDOLE DERIVATIVES AS SEROTONIN SUB-TYPE 6 (5-HT6) MODULATORS AND USES THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2011-05-12 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 (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-20110112122-A1 EPIMINOCYCLOALKYL[b] INDOLE DERIVATIVES AS SEROTONIN SUB-TYPE 6 (5-HT6) MODULATORS AND USES THEREOF HTR6, HTR3B, HTR1B DRD1 250/4885KMT2A 3204/4885NPSR1 58/4885
US-20120184531-A1 BENZOFURO[3,2-c] PYRIDINES AND RELATED ANALOGS AS SEROTONIN SUB-TYPE 6 (5-HT6) MODULATORS FOR THE TREATMENT OF OBESITY, METABOLIC SYNDROME, COGNITION AND SCHIZOPHRENIA HTR6, HTR5A, HTR2C DRD1 146/4885KMT2A 2815/4885NPSR1 76/4885

“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.