SCHEMBL416787

SCHEMBL416787

FCCNc1cccc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HPGD P15428 2/20 0.50
MAPT P10636 3/20 0.47
HTT P42858 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ICMT O60725 1/20 0.45
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
RAPGEF4 Q8WZA2 1/20 0.43
NOS1 P29475 1/20 0.43
IDO1 P14902 1/20 0.43
HDAC4 P56524 1/20 0.42
MEF2D Q14814 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
SCHEMBL5726787 0.85 HPGD (0.49) MEN1KMT2AHPGDMAPTHTT
Hydrochloric Acid SCHEMBL4683451 0.83 HPGD (0.47) MEN1KMT2AHPGDMAPTHTT
SCHEMBL7214532 0.82 MAPT (0.47) MEN1KMT2AHPGDMAPTHTT
SCHEMBL4167975 0.81 MEN1 (0.53) MEN1KMT2AHPGDMAPTHTT
SCHEMBL1431624 0.81 MEN1 (0.53) MEN1KMT2AHPGDMAPTHTT
SCHEMBL6235610 0.81 MAPT (0.50) MEN1KMT2AHPGDMAPTHTT
Hydrochloric Acid SCHEMBL5857094 0.79 MAPT (0.48) MEN1KMT2AHPGDMAPTHTT
SCHEMBL11119734 0.79 ALDH1A1 (0.68) MEN1KMT2AHPGDMAPTHTT
SCHEMBL11935735 0.79 MAPT (0.44) MEN1KMT2AHPGDMAPTHTT
SCHEMBL12355294 0.78 MEN1 (0.55) MEN1KMT2AHPGDMAPTHTT

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
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-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
CN-102448933-A Indole Derivatives as PBR Ligands GE HEALTHCARE LTD 2012-05-09 CN 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 MEN1 334/4885KMT2A 326/4885HPGD 2353/4885
US-20130183240-A1 IN VIVO IMAGING METHOD FOR CANCER MKI67, PBRM1, BRD4 MEN1 1142/4885KMT2A 1543/4885HPGD 308/4885
US-20140364615-A1 INDOLE DERIVATIVES IDO1, IDO2, INMT MEN1 334/4885KMT2A 326/4885HPGD 2353/4885
US-20130177501-A1 IN VIVO IMAGING METHOD OF MOOD DISORDERS SLC18A2, SLC6A2, SLC6A4 MEN1 832/4885KMT2A 573/4885HPGD 239/4885

“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.