SCHEMBL1079446

SCHEMBL1079446

COC(=O)c1cccc2c1ccn2Cc1ccc(OC)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.53
HDAC8 Q9BY41 5/20 0.50
HDAC6 Q9UBN7 5/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC1 Q13547 4/20 0.49
HDAC2 Q92769 4/20 0.49
HDAC3 O15379 3/20 0.49
HDAC10 Q969S8 3/20 0.49
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
NCOR2 Q9Y618 1/20 0.49
AHR P35869 1/20 0.48
KMT2A Q03164 1/20 0.47
NR4A2 P43354 1/20 0.47
LMNA P02545 3/20 0.47
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
POLB P06746 2/20 0.46

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
SCHEMBL6086045 0.89 KMT2A (0.48) KMT2ANR4A2POLBMAPTGAA
SCHEMBL701030 0.88 NR4A2 (0.53) KMT2ANR4A2LMNAGAA
SCHEMBL6709394 0.88 POLB (0.55) KMT2ANR4A2LMNAPOLBSMN1; SMN2
SCHEMBL5422616 0.83 ALDH1A1 (0.49) KMT2ANR4A2LMNASMN1; SMN2MAPT
SCHEMBL13824516 0.80 NR4A2 (0.67) KMT2ANR4A2LMNAPOLBSMN1; SMN2
SCHEMBL13557315 0.80 POLB (0.51) CHRM1HDAC8HDAC6HDAC11HDAC1
SCHEMBL8542534 0.79 CYSLTR1 (0.52)
SCHEMBL6086091 0.79 CHRNB2 (0.49) CHRM1HDAC8HDAC6HDAC11HDAC1
SCHEMBL28398222 0.78 L3MBTL1 (0.50) CHRM1HDAC6HDAC1AHRKMT2A
SCHEMBL3117877 0.78 NPBWR1 (0.51) CHRM1KMT2ALMNAMAPTP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045501-B2 5-HT3 receptor modulators, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2015-06-02 US disclosed
US-9045501-B2 5-HT3 receptor modulators, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2015-06-02 US disclosed
US-20140234443-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2014-08-21 US disclosed
US-20140234443-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2014-08-21 US disclosed
US-8710046-B2 5-HT3 receptor modulators, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2014-04-29 US disclosed
US-8710046-B2 5-HT3 receptor modulators, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2014-04-29 US disclosed
US-20120270857-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2012-10-25 US disclosed
US-20120270857-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2012-10-25 US disclosed
EP-2459563-A2 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF Albany Molecular Research, Inc. (US) 2012-06-06 EP disclosed
WO-2011008572-A2 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-20 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-20120270857-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B CHRM1 419/4885HDAC8 2614/4885HDAC6 3365/4885
US-20140234443-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B CHRM1 419/4885HDAC8 2614/4885HDAC6 3365/4885

“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.