SCHEMBL700424

SCHEMBL700424

COC(=O)c1cccc2c1c(C=O)cn2-c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.55
KMT2A Q03164 3/20 0.49
MEN1 O00255 1/20 0.49
NR4A2 P43354 1/20 0.45
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
SCN9A Q15858 2/20 0.41
KDM4E B2RXH2 5/20 0.41
MAPT P10636 3/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 2/20 0.39
NPC1 O15118 1/20 0.39
ALOX12 P18054 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP3A4 P08684 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
SCHEMBL701990 0.83 SCN9A (0.48) ALDH1A1KMT2AMEN1NR4A2SLC6A4
SCHEMBL12070633 0.79 SCN9A (0.52) ALDH1A1KMT2AMEN1NR4A2SLC6A4
SCHEMBL702371 0.78 NR4A2 (0.52) ALDH1A1KMT2AMEN1NR4A2MAPT
SCHEMBL12070631 0.76 SCN9A (0.55) ALDH1A1KMT2AMEN1NR4A2SCN9A
SCHEMBL702834 0.75 CCR1 (0.45) ALDH1A1KMT2AMEN1SLC6A4SLC6A3
SCHEMBL3972960 0.74 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1SCN9AKDM4E
SCHEMBL701178 0.74 KMT2A (0.54) ALDH1A1KMT2AMEN1NR4A2SLC6A4
SCHEMBL12070635 0.72 SCN9A (0.81) SCN9A
SCHEMBL3716522 0.72 ALDH1A1 (1.00) ALDH1A1KMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL699995 0.71 APP (0.50) ALDH1A1KMT2AMEN1MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8710047-B2 5-HT3 receptor modulators, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2014-04-29 US disclosed
US-20130310366-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2013-11-21 US disclosed
US-8501729-B2 5-HT3 receptor modulators, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2013-08-06 US disclosed
US-20120219641-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2012-08-30 US disclosed
US-8124600-B2 5-HT3 receptor modulators, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2012-02-28 US disclosed
EP-2310019-A2 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF Albany Molecular Research, Inc. (US) 2011-04-20 EP disclosed
WO-2009155054-A2 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2009-12-23 WO disclosed
US-20090298809-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2009-12-03 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 (3 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-20130310366-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B ALDH1A1 2992/4885KMT2A 2954/4885MEN1 2184/4885
US-20090298809-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B ALDH1A1 2992/4885KMT2A 2954/4885MEN1 2184/4885
US-20120219641-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B ALDH1A1 2992/4885KMT2A 2954/4885MEN1 2184/4885

“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.