SCHEMBL5405650

SCHEMBL5405650

O=C(NCc1ccc2c(c1)CCO2)c1ccc2[nH]ncc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.66
EGLN1 Q9GZT9 1/20 0.63
RAB9A P51151 3/20 0.62
METTL3 Q86U44 1/20 0.50
ALDH1A1 P00352 2/20 0.49
MAPK1 P28482 2/20 0.49
NPC1 O15118 1/20 0.48
POLB P06746 1/20 0.48
NAMPT P43490 2/20 0.48
CHRM4 P08173 1/20 0.48
ROCK2 O75116 2/20 0.47
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
PIK3CA P42336 1/20 0.46
AURKA O14965 1/20 0.45
DYRK3 O43781 1/20 0.45
PRKD3 O94806 1/20 0.45

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
SCHEMBL5441326 0.82 MAOB (0.79) MAOBMETTL3MAPK1NAMPTROCK2
SCHEMBL3033717 0.81 RAB9A (0.70) EGLN1RAB9AALDH1A1MAPK1NPC1
SCHEMBL3542002 0.80 KDR (0.50) EGLN1RAB9AALDH1A1MAPK1NPC1
SCHEMBL5442402 0.79 MAOB (0.74) MAOBRAB9AMETTL3MAPK1NPC1
SCHEMBL5409324 0.78 MAOB (0.72) MAOBMETTL3MAPK1NAMPTROCK2
SCHEMBL5409709 0.77 MAOB (0.71) MAOBRAB9AMETTL3MAPK1NPC1
SCHEMBL5413102 0.77 MAOB (0.71) MAOBRAB9AMETTL3MAPK1NPC1
SCHEMBL5417278 0.77 MAOB (0.71) MAOBMETTL3MAPK1NAMPTROCK2
SCHEMBL5406113 0.77 MAOB (0.71) MAOBRAB9AMETTL3ALDH1A1MAPK1
SCHEMBL13149469 0.77 RAB9A (0.78) EGLN1RAB9AALDH1A1NPC1POLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199147-B2 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-03 US disclosed
US-20040138286-A1 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-15 US disclosed
EP-1403255-A1 Rho KINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-31 EP 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-20040138286-A1 Rho kinase inhibitors ROCK1, ROCK2, ARHGDIA MAOB 2025/4885EGLN1 977/4885RAB9A 85/4885

“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.