SCHEMBL415873

SCHEMBL415873

CCN(CC)C(=O)C1CCCC(Br)C1=O

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSPO P30536 3/20 0.37
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL14903874 0.74
SCHEMBL20292477 0.74 TSPO (0.45) TSPOLMNATP53ALOX15SMN1; SMN2
SCHEMBL1617437 0.73 TLR4 (0.49) LMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL12296371 0.72 MCL1 (0.45) TSPOLMNATP53ALOX15SMN1; SMN2
SCHEMBL11738399 0.72 MAPK1 (0.33) TP53
SCHEMBL480709 0.71 TSPO (0.43) TSPOLMNATP53ALOX15SMN1; SMN2
SCHEMBL29264295 0.71 SIRT1 (0.31)
SCHEMBL11782843 0.70 CYP1A2 (0.38) SMN1; SMN2ALDH1A1KDM4E
SCHEMBL9839274 0.68 BCHE (0.38) TSPOLMNAALDH1A1KDM4E
SCHEMBL1053598 0.68 BCHE (0.50) ALDH1A1KDM4E

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2552891-B1 TRICYCLIC INDOLE DERIVATIVES AS PBR LIGANDS GE HEALTHCARE LTD (GB) 2018-08-08 EP disclosed
EP-2411362-B1 Tricyclic indole derivatives as PBR ligands GE HEALTHCARE LTD (GB) 2017-05-31 EP disclosed
US-9314541-B2 In vivo imaging method for cancer GE HEALTHCARE LIMITED (GB) 2016-04-19 US disclosed
US-9220795-B2 Indole derivatives GE HEALTHCARE LIMITED (GB) 2015-12-29 US disclosed
US-9168317-B2 In vivo imaging method of mood disorders GE HEALTHCARE LIMITED (GB) 2015-10-27 US disclosed
US-20140364615-A1 INDOLE DERIVATIVES GE HEALTHCARE LIMITED (GB) 2014-12-11 US disclosed
US-8790619-B2 Indole derivatives GE HEALTHCARE LIMITED (GB) 2014-07-29 US disclosed
EP-2621544-A1 IN VIVO IMAGING METHOD FOR CANCER GE Healthcare UK Limited (GB) 2013-08-07 EP disclosed
US-8501153-B2 Active enantiomer GE HEALTHCARE LIMITED (GB) 2013-08-06 US disclosed
US-8501153-B2 Active enantiomer GE HEALTHCARE LIMITED (GB) 2013-08-06 US disclosed
US-20130183240-A1 IN VIVO IMAGING METHOD FOR CANCER GE HEALTHCARE LIMITED (GB) 2013-07-18 US disclosed
US-20130177501-A1 IN VIVO IMAGING METHOD OF MOOD DISORDERS GE HEALTHCARE LIMITED (GB) 2013-07-11 US disclosed
WO-2012041953-A1 IN VIVO IMAGING METHOD FOR CANCER GE HEALTHCARE LIMITED (GB) 2012-04-05 WO disclosed
WO-2012038532-A1 IN VIVO IMAGING METHOD OF MOOD DISORDERS GE HEALTHCARE LIMITED (GB) 2012-03-29 WO disclosed
EP-2411362-A2 INDOLE DERIVATIVES GE Healthcare UK Limited (GB) 2012-02-01 EP disclosed
US-20120020884-A1 INDOLE DERIVATIVES GE HEALTHCARE LIMITED (GB) 2012-01-26 US disclosed
WO-2011117421-A1 TRICYCLIC INDOLE DERIVATIVES AS PBR LIGANDS GE HEALTHCARE LIMITED (GB) 2011-09-29 WO disclosed
US-20110070161-A1 ACTIVE ENANTIOMER GE HEALTHCARE LIMITED (GB) 2011-03-24 US disclosed
US-20110070161-A1 ACTIVE ENANTIOMER GE HEALTHCARE LIMITED (GB) 2011-03-24 US disclosed
WO-2010109007-A2 INDOLE DERIVATIVES GE HEALTHCARE LIMITED (GB) 2010-09-30 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 (5 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-20120020884-A1 INDOLE DERIVATIVES IDO1, IDO2, INMT TSPO 50/4885LMNA 2612/4885TP53 3202/4885
US-20130183240-A1 IN VIVO IMAGING METHOD FOR CANCER MKI67, PBRM1, BRD4 TSPO 13/4885LMNA 3416/4885TP53 575/4885
US-20110070161-A1 ACTIVE ENANTIOMER GABRA5, GABRP, GABRA4 TSPO 9/4885LMNA 3965/4885TP53 4326/4885
US-20140364615-A1 INDOLE DERIVATIVES IDO1, IDO2, INMT TSPO 50/4885LMNA 2612/4885TP53 3202/4885
US-20130177501-A1 IN VIVO IMAGING METHOD OF MOOD DISORDERS SLC18A2, SLC6A2, SLC6A4 TSPO 72/4885LMNA 2390/4885TP53 4708/4885

“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.