SCHEMBL415057

SCHEMBL415057

O=C(COCc1ccccc1)Nc1ccc(F)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.62
PTPRC P08575 1/20 0.60
PTPN1 P18031 1/20 0.60
ALDH1A1 P00352 4/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
RAB9A P51151 2/20 0.59
KLK7 P49862 1/20 0.58
NPC1 O15118 1/20 0.55
GAA P10253 3/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
RECQL P46063 1/20 0.52
LMNA P02545 2/20 0.52
MAPT P10636 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
LTA4H P09960 1/20 0.51
SGMS1 Q86VZ5 1/20 0.51
CXCR1 P25024 1/20 0.50
CXCR2 P25025 1/20 0.50

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
SCHEMBL2349758 0.92 NAMPT (0.70) NAMPTPTPRCPTPN1ALDH1A1SMN1; SMN2
SCHEMBL839348 0.89 NAMPT (0.66) NAMPTPTPRCPTPN1ALDH1A1SMN1; SMN2
SCHEMBL23099714 0.88 KMT2A (0.60) NAMPTPTPRCPTPN1ALDH1A1SMN1; SMN2
SCHEMBL1931512 0.88 NAMPT (0.65) NAMPTPTPRCPTPN1ALDH1A1SMN1; SMN2
SCHEMBL25547335 0.85 NAMPT (0.62) NAMPTPTPRCPTPN1ALDH1A1SMN1; SMN2
SCHEMBL2003113 0.85 NAMPT (0.62) NAMPTPTPRCPTPN1ALDH1A1SMN1; SMN2
SCHEMBL19932361 0.85 NAMPT (0.62) NAMPTPTPRCPTPN1ALDH1A1SMN1; SMN2
SCHEMBL7646959 0.84 MEN1 (0.54) NAMPTPTPRCPTPN1ALDH1A1SMN1; SMN2
SCHEMBL418094 0.84 MEN1 (0.60) NAMPTPTPRCPTPN1ALDH1A1SMN1; SMN2
SCHEMBL8864260 0.82 SMN1; SMN2 (0.69) NAMPTPTPRCPTPN1ALDH1A1SMN1; 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 19 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
US-5616799-A REACTING A CORRESPONDING NITRO COMPOUND WITH A KETONE AND HYDROGEN IN PRESENCE OF A NOBLE METAL CATALYST HOECHST AKTIENGESELLSCHAFT (DE) 1997-04-01 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 NAMPT 2744/4885PTPRC 4293/4885PTPN1 4766/4885
US-20130183240-A1 IN VIVO IMAGING METHOD FOR CANCER MKI67, PBRM1, BRD4 NAMPT 1544/4885PTPRC 3153/4885PTPN1 4744/4885
US-20140364615-A1 INDOLE DERIVATIVES IDO1, IDO2, INMT NAMPT 2744/4885PTPRC 4293/4885PTPN1 4766/4885
US-20130177501-A1 IN VIVO IMAGING METHOD OF MOOD DISORDERS SLC18A2, SLC6A2, SLC6A4 NAMPT 1331/4885PTPRC 2916/4885PTPN1 4104/4885

“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.