SCHEMBL14257574

SCHEMBL14257574

N#C/N=C(\Nc1ccc(F)cc1F)Oc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
NPC1 O15118 3/20 0.45
HTT P42858 1/20 0.45
P2RY1 P47900 1/20 0.43
ALDH1A1 P00352 4/20 0.42
POLB P06746 3/20 0.41
EGFR P00533 1/20 0.41
MAPT P10636 1/20 0.40
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
GAA P10253 1/20 0.39
TP53 P04637 1/20 0.38

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
SCHEMBL14258949 0.90 KMT2A (0.41) RAB9ASMN1; SMN2NPC1HTTP2RY1
SCHEMBL14257651 0.90 KMT2A (0.41) RAB9ASMN1; SMN2NPC1HTTP2RY1
SCHEMBL14267805 0.87 SMN1; SMN2 (0.35) RAB9ASMN1; SMN2NPC1HTTP2RY1
SCHEMBL14257526 0.87 KMT2A (0.43) RAB9ASMN1; SMN2NPC1ALDH1A1POLB
SCHEMBL14257481 0.87 LMNA (0.39) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL14257580 0.86 NPC1 (0.46) RAB9ASMN1; SMN2NPC1ALDH1A1POLB
SCHEMBL14257606 0.84 KMT2A (0.37) RAB9ASMN1; SMN2NPC1P2RY1ALDH1A1
SCHEMBL14257545 0.81 FAAH (0.41) RAB9ASMN1; SMN2NPC1ALDH1A1POLB
SCHEMBL4500748 0.81 FAAH (0.41) RAB9ASMN1; SMN2NPC1ALDH1A1POLB
SCHEMBL4500750 0.81 FAAH (0.41) RAB9ASMN1; SMN2NPC1ALDH1A1POLB

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-20080076924-A1 Piperazines as P2X7 antagonists ABBOTT LABORATORIES 2008-03-27 US disclosed
US-20080076924-A1 Piperazines as P2X7 antagonists ABBOTT LABORATORIES 2008-03-27 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-20080076924-A1 Piperazines as P2X7 antagonists P2RX7, P2RX1, P2RX2 RAB9A 3303/4885SMN1; SMN2 3822/4885NPC1 635/4885

“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.