SCHEMBL19920569

SCHEMBL19920569

N=C(Nc1ccc(F)c(Cl)c1)c1nonc1NCCF

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 9/20 0.45
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
STK17B O94768 1/20 0.39
STK17A Q9UEE5 1/20 0.39

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
SCHEMBL20653655 0.93 IDO1 (0.46) IDO1MEN1KMT2AMAPTALDH1A1
SCHEMBL19900660 0.85 IDO1 (0.51) IDO1
SCHEMBL19900662 0.85 IDO1 (0.51) IDO1
SCHEMBL19661023 0.85 IDO1 (0.51) IDO1
SCHEMBL21098833 0.84 IDO1 (0.43) IDO1MEN1KMT2AMAPTALDH1A1
SCHEMBL2757625 0.84 IDO1 (0.52) IDO1MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL179218 0.84 IDO1 (0.62) IDO1
SCHEMBL20198906 0.84 IDO1 (0.50) IDO1MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL179217 0.83 IDO1 (0.56) IDO1
SCHEMBL179222 0.83 IDO1 (0.46) IDO1MEN1KMT2ASMN1; SMN2TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190185439-A1 RADIOFLUORINATED CARBOXIMIDAMIDES AS IDO TARGETING PET TRACER FOR CANCER IMAGING H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2019-06-20 US disclosed
WO-2018039430-A1 RADIOFLUORINATED CARBOXIMIDAMIDES AS IDO TARGETING PET TRACER FOR CANCER IMAGING H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE, INC. (US) 2018-03-01 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 (1 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-20190185439-A1 RADIOFLUORINATED CARBOXIMIDAMIDES AS IDO TARGETING PET TRACER FOR CANCER IMAGING IDO1, IDO2, IFNG IDO1 1/4885MEN1 1876/4885KMT2A 308/4885

“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.