SCHEMBL3342816

SCHEMBL3342816

Cc1cc(-c2ccc(C)c(N)c2)no1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.45
NPC1 O15118 6/20 0.45
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
CASP1 P29466 1/20 0.41
HPGD P15428 2/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
MAPK1 P28482 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
CYP3A4 P08684 2/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
TSHR P16473 3/20 0.38
LMNA P02545 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
SCHEMBL14117652 0.79 ACHE (0.52) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL7831898 0.76 RAB9A (0.46) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL3342810 0.76 POLB (0.49) RAB9ANPC1KDM4EALDH1A1TDP1
SCHEMBL1353918 0.75 MAP4K4 (0.54) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL12112412 0.75 RAB9A (0.66) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL30955218 0.74 ACHE (0.64) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL27436286 0.74 ACHE (0.64) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL12460422 0.74 RAB9A (0.44) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL31661348 0.73 CYP3A4 (0.62) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL6866139 0.73 CYP3A4 (0.62) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2

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-20100160384-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 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-20100160384-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX6, P2RX3 RAB9A 1850/4885NPC1 1906/4885KDM4E 2591/4885

“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.