SCHEMBL416817

SCHEMBL416817

FCCNc1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.47
MAPT P10636 4/20 0.44
RPS6KA2 Q15349 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.40
GAA P10253 2/20 0.39
ALDH1A1 P00352 3/20 0.39
KCNH3 Q9ULD8 1/20 0.38
TAAR1 Q96RJ0 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
PLEC Q15149 1/20 0.38
HDAC3 O15379 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37

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
SCHEMBL2064760 0.86 MAPT (0.57) APPMAPTRPS6KA2GAAALDH1A1
SCHEMBL3005414 0.82 TAAR1 (0.46) MAPTRPS6KA2LOXL2GAAALDH1A1
Hydrochloric Acid SCHEMBL3027696 0.80 TAAR1 (0.44) MAPTRPS6KA2LOXL2ALDH1A1KCNH3
SCHEMBL7425672 0.78 STK17A (0.51) MAPTALDH1A1TAAR1
SCHEMBL13650793 0.77 MAPT (0.76) APPMAPTRPS6KA2GAAALDH1A1
SCHEMBL2089878 0.77 MAPT (0.42) MAPTRPS6KA2GAAALDH1A1KCNH3
SCHEMBL11516786 0.77 IDO1 (0.44) MAPTRPS6KA2GAAALDH1A1KCNH3
SCHEMBL4149063 0.77 RPS6KA2 (0.44) MAPTRPS6KA2GAAALDH1A1KCNH3
SCHEMBL15577097 0.77 APP (0.46) APPMAPTGAAALDH1A1
SCHEMBL295193 0.77 KCNH3 (0.54) MAPTRPS6KA2GAAALDH1A1KCNH3

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 APP 890/4885MAPT 2852/4885RPS6KA2 4351/4885
US-20130183240-A1 IN VIVO IMAGING METHOD FOR CANCER MKI67, PBRM1, BRD4 APP 4141/4885MAPT 4632/4885RPS6KA2 4076/4885
US-20140364615-A1 INDOLE DERIVATIVES IDO1, IDO2, INMT APP 890/4885MAPT 2852/4885RPS6KA2 4351/4885
US-20130177501-A1 IN VIVO IMAGING METHOD OF MOOD DISORDERS SLC18A2, SLC6A2, SLC6A4 APP 2439/4885MAPT 1078/4885RPS6KA2 3213/4885

“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.