SCHEMBL19687793

SCHEMBL19687793

Nc1ccc(I)c(C(F)(F)F)c1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.36
NOTUM Q6P988 1/20 0.35
KEAP1 Q14145 1/20 0.34
CFTR P13569 2/20 0.33
HDAC2 Q92769 1/20 0.33
KMT2A Q03164 2/20 0.32
GFER P55789 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL15971303 0.80 KDM4E (0.40) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL24805151 0.79 KDM4E (0.39) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL13041362 0.76 KEAP1 (0.41) KDM4EALDH1A1HSD17B10HPGDKEAP1
SCHEMBL2621717 0.72 KDM4E (0.37) KDM4EALDH1A1HSD17B10NOTUMKEAP1
SCHEMBL31348929 0.71 KMT2A (0.48) KDM4EALDH1A1HSD17B10HPGDKEAP1
SCHEMBL3822164 0.71 KMT2A (0.48) KDM4EALDH1A1HSD17B10HPGDKEAP1
SCHEMBL23362764 0.68 GABRP (0.34) KDM4EALDH1A1HPGDHTTKEAP1
SCHEMBL3405052 0.67 MMP2 (0.45) KDM4EHSD17B10HDAC2KMT2AMEN1
SCHEMBL1000209 0.67 KMT2A (0.44) KDM4EALDH1A1HSD17B10HPGDKEAP1
SCHEMBL28659910 0.67 ALDH1A1 (0.43) KDM4EALDH1A1HSD17B10HPGDKEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170349602-A1 PIPERIDINE SUBSTITUTED TRICYCLIC PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES WITH INHIBITORY ACTIVITY ON THE REPLICATION OF THE RESPIRATORY SYNCYTIAL VIRUS (RSV) JANSSEN INFECTIOUS DISEASES BVBA (BE) 2017-12-07 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 (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-20170349602-A1 PIPERIDINE SUBSTITUTED TRICYCLIC PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES WITH INHIBITORY ACTIVITY ON THE REPLICATION OF THE RESPIRATORY SYNCYTIAL VIRUS (RSV) ZC3HAV1, MAVS, PIR KDM4E 3446/4885ALDH1A1 2133/4885HSD17B10 4714/4885

“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.