SCHEMBL1584547

SCHEMBL1584547

Cc1cccc(S(=O)(=O)Cl)c1.[NaH]

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 4/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MEN1 O00255 2/20 0.46
ACHE P22303 1/20 0.46
FBP1 P09467 8/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 1/20 0.42
MMP2 P08253 1/20 0.42
FLT1 P17948 1/20 0.42
FLT4 P35916 1/20 0.42
KDR P35968 1/20 0.42
EDNRA P25101 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL1584550 0.98 KMT2A (0.55) KMT2AALDH1A1HSD17B10TDP1MEN1
SCHEMBL31650294 0.98 KMT2A (0.55) KMT2AALDH1A1HSD17B10TDP1MEN1
SCHEMBL213635 0.98 KMT2A (0.55) KMT2AALDH1A1HSD17B10TDP1MEN1
SCHEMBL14121110 0.86 ALDH1A1 (0.45) KMT2AALDH1A1HSD17B10TDP1MEN1
Ether SCHEMBL27636755 0.85 KMT2A (0.49) KMT2AALDH1A1HSD17B10TDP1MEN1
SCHEMBL56599 0.81 ALDH1A1 (0.65) KMT2AALDH1A1HSD17B10TDP1MEN1
SCHEMBL29468572 0.79 KMT2A (0.59) KMT2AALDH1A1TDP1MEN1ACHE
SCHEMBL822302 0.79 KMT2A (0.59) KMT2AALDH1A1TDP1MEN1ACHE
M-Xylene SCHEMBL996903 0.79 ACHE (0.67) KMT2AALDH1A1HSD17B10TDP1MEN1
SCHEMBL18274786 0.78 KMT2A (0.53) KMT2AALDH1A1TDP1MEN1ACHE

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 7 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
EP-2668191-A2 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) 2013-12-04 EP 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
WO-2012099952-A2 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) 2012-07-26 WO 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
WO-2011044134-A1 EPIMINOCYCLOALKYL(B)INDOLE DERIVATIVES AS SEROTONIN SUB-TYPE 6 (5-HT6) MODULATORS AND USES THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2011-04-14 WO 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 KMT2A 3204/4885ALDH1A1 2187/4885HSD17B10 745/4885
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 KMT2A 2815/4885ALDH1A1 1684/4885HSD17B10 1286/4885

“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.