SCHEMBL6713575

SCHEMBL6713575

FC(F)(F)c1c2cc(Cl)cnc2nc2ncc(Cl)cc12

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
HSD17B10 Q99714 1/20 0.50
IDO1 P14902 1/20 0.37
HRH4 Q9H3N8 6/20 0.34
HRH3 Q9Y5N1 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.31
POLB P06746 1/20 0.31
ATM Q13315 1/20 0.31
PDK2 Q15119 1/20 0.31
GLA P06280 1/20 0.31
GUSB P08236 1/20 0.30
JUN P05412 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
METAP2 P50579 1/20 0.30

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
SCHEMBL6711937 0.87 HCAR2 (0.41) HTTHSD17B10IDO1L3MBTL1
SCHEMBL4421954 0.77 HSD17B10 (0.46) HTTHSD17B10IDO1HRH4HRH3
SCHEMBL14189993 0.74 HTT (0.44) HTTHSD17B10IDO1HRH4HRH3
SCHEMBL4421174 0.74 HTT (0.44) HTTHSD17B10IDO1HRH4HRH3
SCHEMBL11782800 0.72 HSD17B10 (0.65) HTTHSD17B10JUNNFKB1NFKB2
Ammonia Solution, Strong SCHEMBL11782697 0.71 HSD17B10 (0.63) HTTHSD17B10JUNNFKB1NFKB2
SCHEMBL11782702 0.70 HTT (0.40) HTTHSD17B10IDO1HRH4HRH3
SCHEMBL3252305 0.68 HTT (0.37) HTTHSD17B10IDO1HRH4HRH3
SCHEMBL29237010 0.68 HRH4 (0.38) HTTHSD17B10IDO1HRH4HRH3
SCHEMBL11219412 0.67 HTT (1.00) HTTHSD17B10L3MBTL1POLBATM

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-20040002498-A1 Tricyclic compounds useful as HIV reverse transcriptase inhibitors JOHNSON BARRY L (US) 2004-01-01 US disclosed
US-6593337-B1 pharmaceutical compositions and diagnostic kits comprising the same, and methods of using the same for treating viral infection or as an assay standard or reagent. BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-07-15 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-20040002498-A1 Tricyclic compounds useful as HIV reverse transcriptase inhibitors POLRMT, TYMP, POLM HTT 2749/4885HSD17B10 353/4885IDO1 1386/4885

“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.