SCHEMBL419015

SCHEMBL419015

Fc1ccc(NCCOCc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 3/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47
RECQL P46063 2/20 0.47
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
AR P10275 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 2/20 0.43
MAOB P27338 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
BLM P54132 1/20 0.43
CASP6 P55212 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GBA1 P04062 1/20 0.42

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
SCHEMBL414823 0.89 TSHR (0.54) KCNH3TSHRALDH1A1HTTSMN1; SMN2
SCHEMBL9335414 0.85 TSHR (0.45) TSHRKMT2AMEN1ALDH1A1HTT
SCHEMBL6107307 0.83 NAAA (0.47) TSHRKMT2AMEN1ALDH1A1HTT
SCHEMBL417840 0.82 LMNA (0.47) TSHRKMT2AMEN1ALDH1A1HTT
SCHEMBL10758749 0.81 TDP1 (0.48) KCNH3TSHRKMT2AMEN1HTT
SCHEMBL5450104 0.80 FFAR1 (0.52) TSHRALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL11675736 0.79 ALDH1A1 (0.57) KCNH3TSHRALDH1A1HTTSMN1; SMN2
SCHEMBL10758755 0.79 SMN1; SMN2 (0.48) TSHRKMT2AMEN1ALDH1A1HTT
SCHEMBL12258273 0.78 MAPT (0.42) TSHRKMT2AMEN1ALDH1A1HTT
SCHEMBL11677276 0.77 ALDH1A1 (0.55) TSHRALDH1A1HTTSMN1; SMN2L3MBTL1

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 18 patents. 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
CN-103209713-A In vivo imaging method of mood disorders GE HEALTHCARE LTD 2013-07-17 CN 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

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 KCNH3 132/4885TSHR 2384/4885KMT2A 326/4885
US-20130183240-A1 IN VIVO IMAGING METHOD FOR CANCER MKI67, PBRM1, BRD4 KCNH3 2014/4885TSHR 2312/4885KMT2A 1543/4885
US-20140364615-A1 INDOLE DERIVATIVES IDO1, IDO2, INMT KCNH3 132/4885TSHR 2384/4885KMT2A 326/4885
US-20130177501-A1 IN VIVO IMAGING METHOD OF MOOD DISORDERS SLC18A2, SLC6A2, SLC6A4 KCNH3 1049/4885TSHR 1192/4885KMT2A 573/4885

“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.