SCHEMBL4789045

SCHEMBL4789045

CN(C(=O)O)c1nc(-c2ccncc2)no1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.47
NPC1 O15118 10/20 0.45
RAB9A P51151 10/20 0.45
MAPT P10636 5/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HTT P42858 3/20 0.45
THRB P10828 1/20 0.45
LMNA P02545 5/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 3/20 0.43
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HDAC4 P56524 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
GRM1 Q13255 1/20 0.43

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
SCHEMBL14739609 0.75 RARA (0.40) MAPTHDAC4HDAC6S1PR1
SCHEMBL4758474 0.73 GRM1 (0.43) NPC1RAB9AKMT2AGRM1
SCHEMBL2889313 0.72 MAPT (0.55) SMN1; SMN2NPC1RAB9AMAPTNFKB1
SCHEMBL27789974 0.70 MAPT (0.56) SMN1; SMN2NPC1RAB9AMAPTNFKB1
SCHEMBL4788586 0.70 GRM1 (0.43) KMT2AGRM1
SCHEMBL3510596 0.70 CHRM2 (0.35) KMT2AHDAC4HDAC6
SCHEMBL28816287 0.69 MAPT (0.58) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL12171512 0.69 NPC1 (0.69) SMN1; SMN2NPC1RAB9AMAPTNFKB1
SCHEMBL8821028 0.68 NPC1 (0.56) SMN1; SMN2NPC1RAB9AMAPTNFKB1
SCHEMBL11038681 0.68 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AMAPTNFKB1

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
WO-2008011557-A2 HETEROARYL INHIBITORS OF RHO KINASE BORCHARDT ALLEN J (US) 2008-01-24 WO disclosed
US-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE Borchardt, Allen (US) 2008-01-24 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-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE ROCK1, ROCK2, RHOA SMN1; SMN2 3000/4885NPC1 1495/4885RAB9A 232/4885

“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.