SCHEMBL6406473

SCHEMBL6406473

N#C/N=C(\N)Nc1cc(Cl)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.39
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 3/20 0.37
USP2 O75604 1/20 0.37
GRIK1 P39086 1/20 0.37
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
TAS1R2 Q8TE23 2/20 0.36
ADORA2A P29274 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
TMPRSS4 Q9NRS4 1/20 0.35
P2RX7 Q99572 1/20 0.35
KCNMA1 Q12791 2/20 0.35
ACLY P53396 1/20 0.34
IDO1 P14902 1/20 0.34
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33

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
SCHEMBL6406477 1.00 USP30 (0.39) USP30ALDH1A1KMT2AUSP2GRIK1
SCHEMBL4685491 0.86 ALDH1A1 (0.39) ALDH1A1KMT2ALMNAP2RX7
SCHEMBL4685493 0.86 ALDH1A1 (0.39) ALDH1A1KMT2ALMNAP2RX7
SCHEMBL6614405 0.80 HDAC1 (0.38) ALDH1A1KMT2ALMNA
SCHEMBL6614403 0.80 HDAC1 (0.38) ALDH1A1KMT2ALMNA
SCHEMBL4682176 0.79 SIGMAR1 (0.49) ALDH1A1KMT2ANPC1RAB9AGAA
SCHEMBL4682177 0.79 SIGMAR1 (0.49) ALDH1A1KMT2ANPC1RAB9AGAA
SCHEMBL1983930 0.75 NPC1 (0.50) ALDH1A1KMT2AUSP2NPC1RAB9A
SCHEMBL1983932 0.75 NPC1 (0.50) ALDH1A1KMT2AUSP2NPC1RAB9A
SCHEMBL4682280 0.73 HTR3E (0.64) ALDH1A1KMT2AUSP2NPC1RAB9A

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-20050171195-A1 P2X7 antagonists for treating neuropathic pain ABBOTT LABORATORIES 2005-08-04 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-20050171195-A1 P2X7 antagonists for treating neuropathic pain P2RX3, P2RX7, P2RX1 USP30 3890/4885ALDH1A1 1730/4885KMT2A 4090/4885

“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.