SCHEMBL414823

SCHEMBL414823

c1ccc(COCCNc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 1/20 0.49
LMNA P02545 1/20 0.46
F2 P00734 2/20 0.43
KCNH2 Q12809 1/20 0.43
GRIN2B Q13224 1/20 0.43
GBA1 P04062 1/20 0.43
NAAA Q02083 1/20 0.42
MAOB P27338 1/20 0.41
KCNH3 Q9ULD8 1/20 0.41
LTA4H P09960 1/20 0.40

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
SCHEMBL419015 0.89 KCNH3 (0.47) TSHRL3MBTL1ALDH1A1MAPTSMN1; SMN2
SCHEMBL11675736 0.89 ALDH1A1 (0.57) TSHRL3MBTL1ALDH1A1MAPTSMN1; SMN2
SCHEMBL12258273 0.88 MAPT (0.42) TSHRL3MBTL1ALDH1A1MAPTSMN1; SMN2
SCHEMBL9335414 0.88 TSHR (0.45) TSHRL3MBTL1ALDH1A1MAPTSMN1; SMN2
SCHEMBL11677276 0.87 ALDH1A1 (0.55) TSHRL3MBTL1ALDH1A1MAPTSMN1; SMN2
SCHEMBL6107307 0.86 NAAA (0.47) TSHRALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL3248804 0.85 ALDH1A1 (0.61) L3MBTL1ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL417840 0.85 LMNA (0.47) TSHRL3MBTL1ALDH1A1MAPTSMN1; SMN2
SCHEMBL10758749 0.84 TDP1 (0.48) TSHRL3MBTL1MAPTSMN1; SMN2HTT
SCHEMBL12258272 0.84 ALDH1A1 (0.39) TSHRL3MBTL1ALDH1A1MAPTSMN1; SMN2

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-2411362-B1 Tricyclic indole derivatives as PBR ligands GE HEALTHCARE LTD (GB) 2017-05-31 EP disclosed
CN-103179991-B In vivo imaging method for cancer 通用电气健康护理有限公司 2016-08-24 CN 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
EP-2618850-A1 IN VIVO IMAGING METHOD OF MOOD DISORDERS GE Healthcare UK Limited (GB) 2013-07-31 EP 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
CN-103179991-A In vivo imaging method for cancer GE HEALTHCARE LTD 2013-06-26 CN 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-2010109007-A2 INDOLE DERIVATIVES GE HEALTHCARE LIMITED (GB) 2010-09-30 WO disclosed
US-4060544-A COUPLERS GAF CORPORATION (US) 1977-11-29 US disclosed
US-4039524-A Keto-amido containing phenylazo benzothiazole dyestuffs GAF CORPORATION (US) 1977-08-02 US disclosed
US-3931145-A POLYESTER GAF CORPORATION (US) 1976-01-06 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 (4 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 TSHR 2384/4885L3MBTL1 4359/4885ALDH1A1 2535/4885
US-20130183240-A1 IN VIVO IMAGING METHOD FOR CANCER MKI67, PBRM1, BRD4 TSHR 2312/4885L3MBTL1 2231/4885ALDH1A1 2183/4885
US-20140364615-A1 INDOLE DERIVATIVES IDO1, IDO2, INMT TSHR 2384/4885L3MBTL1 4359/4885ALDH1A1 2535/4885
US-20130177501-A1 IN VIVO IMAGING METHOD OF MOOD DISORDERS SLC18A2, SLC6A2, SLC6A4 TSHR 1192/4885L3MBTL1 3485/4885ALDH1A1 2038/4885

“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.