SCHEMBL5409935

SCHEMBL5409935

CCCCCc1[nH]c2ccccc2c1CCCCC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.60
CHRNA7 P36544 1/20 0.60
CHRNA4 P43681 1/20 0.60
KDM4E B2RXH2 5/20 0.57
ALDH1A1 P00352 5/20 0.57
HPGD P15428 4/20 0.57
HSD17B10 Q99714 4/20 0.57
GAA P10253 1/20 0.57
OXER1 Q8TDS5 1/20 0.52
RAB9A P51151 1/20 0.51
CTSV O60911 2/20 0.51
CTSL P07711 2/20 0.51
POLB P06746 1/20 0.50
TSHR P16473 3/20 0.48
CYP3A4 P08684 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 2/20 0.48
MAPT P10636 2/20 0.48
ALOX15 P16050 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL28674730 0.98 CHRNB2 (0.59) CHRNB2CHRNA7CHRNA4KDM4EALDH1A1
SCHEMBL31091563 0.98 CHRNB2 (0.59) CHRNB2CHRNA7CHRNA4KDM4EALDH1A1
SCHEMBL11415261 0.92 KDM4E (0.56) CHRNB2CHRNA7CHRNA4KDM4EALDH1A1
SCHEMBL7089878 0.91 CHRNB2 (0.55) CHRNB2CHRNA7CHRNA4KDM4EALDH1A1
SCHEMBL19734470 0.89 CHRNB2 (0.54) CHRNB2CHRNA7CHRNA4KDM4EALDH1A1
SCHEMBL5456514 0.89 ALDH1A1 (0.54) CHRNB2CHRNA7CHRNA4KDM4EALDH1A1
SCHEMBL28987798 0.88 CHRNB2 (0.58) CHRNB2CHRNA7CHRNA4KDM4EALDH1A1
SCHEMBL6330362 0.86 OXER1 (0.56) CHRNB2CHRNA7CHRNA4KDM4EALDH1A1
SCHEMBL632968 0.85 KDM4E (0.50) CHRNB2CHRNA7CHRNA4KDM4EALDH1A1
SCHEMBL7594783 0.85 CHRNB2 (0.49) CHRNB2CHRNA7CHRNA4KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9334275-B2 Processes for preparing indoles NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2016-05-10 US claimed
US-20150005494-A1 PROCESSES FOR PREPARING INDOLES NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2015-01-01 US claimed
WO-2013095304-A1 PROCESSES FOR PREPARING INDOLES NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2013-06-27 WO claimed
US-9334275-B2 Processes for preparing indoles NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2016-05-10 US disclosed
US-20150005494-A1 PROCESSES FOR PREPARING INDOLES NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2015-01-01 US disclosed
WO-2013095304-A1 PROCESSES FOR PREPARING INDOLES NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2013-06-27 WO disclosed
WO-2007129169-A2 COX- II INHIBITORS FOR IMPROVING REPRODUCTIVE SUCCESS IN A FEMALE ANIMAL PFIZER LIMITED (GB) 2007-11-15 WO disclosed
US-20070082872-A1 Indole-containing compounds with anti-tubulin and vascular targeting activity BAYLOR UNIVERSITY 2007-04-12 US disclosed
WO-2006041961-A1 ARYLTHIOINDOLE TUBULIN POLYMERIZATION INHIBITORS AND METHODS OF TREATING OR PREVENTING CANCER USING SAME GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, DEPARTMENT OF HEALTHAND HUMAN SERVICES (US) 2006-04-20 WO disclosed
US-6960611-B2 Sulfonyl-containing 2,3-diarylindole compounds, methods for making same, and methods of use thereof INSTITUTE OF MATERIA MEDICA (CN) 2005-11-01 US disclosed
US-6960611-B2 Sulfonyl-containing 2,3-diarylindole compounds, methods for making same, and methods of use thereof INSTITUTE OF MATERIA MEDICA (CN) 2005-11-01 US disclosed
US-6960611-B2 Sulfonyl-containing 2,3-diarylindole compounds, methods for making same, and methods of use thereof INSTITUTE OF MATERIA MEDICA (CN) 2005-11-01 US disclosed
WO-2004099139-A1 INDOLE-CONTAINING COMPOUNDS WITH ANTI-TUBULIN AND VASCULAR TARGETING ACTIVITY BAYLOR UNIVERSITY (US) 2004-11-18 WO disclosed
US-20040058977-A1 Sulfonyl-containing 2,3-diarylindole compounds, methods for making same, and methods of use thereof INSTITUTE OF MATERIA MEDIC, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2004-03-25 US disclosed
US-20040058977-A1 Sulfonyl-containing 2,3-diarylindole compounds, methods for making same, and methods of use thereof INSTITUTE OF MATERIA MEDIC, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2004-03-25 US disclosed
US-20040058977-A1 Sulfonyl-containing 2,3-diarylindole compounds, methods for making same, and methods of use thereof INSTITUTE OF MATERIA MEDIC, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2004-03-25 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-20150005494-A1 PROCESSES FOR PREPARING INDOLES IDO1, INMT, IDO2 CHRNB2 1562/4885CHRNA7 1625/4885CHRNA4 2080/4885
US-20070082872-A1 Indole-containing compounds with anti-tubulin and vascular targeting activity TUBB3, TUBB1, TUBB CHRNB2 3772/4885CHRNA7 3959/4885CHRNA4 4100/4885
US-20040058977-A1 Sulfonyl-containing 2,3-diarylindole compounds, methods for making same, and methods of use thereof PTGS2, PTGES2, PTGER2 CHRNB2 3451/4885CHRNA7 3840/4885CHRNA4 4534/4885

“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.