SCHEMBL5407291

SCHEMBL5407291

O=C(NCc1ccco1)c1ccc2[nH]ncc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.64
HPGD P15428 3/20 0.64
TSHR P16473 2/20 0.64
NPC1 O15118 1/20 0.64
TP53 P04637 1/20 0.64
RAB9A P51151 1/20 0.64
MAOB P27338 1/20 0.58
CTNNB1 P35222 1/20 0.58
WNT3A P56704 1/20 0.58
ATM Q13315 1/20 0.57
ALDH1A1 P00352 4/20 0.56
CACNA1B Q00975 1/20 0.55
APBA1 Q02410 1/20 0.55
TDP1 Q9NUW8 1/20 0.54
POLB P06746 3/20 0.54
KMT2A Q03164 2/20 0.54
METTL3 Q86U44 1/20 0.53
MEN1 O00255 1/20 0.53
PKM P14618 1/20 0.53
HSD17B10 Q99714 1/20 0.53

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
SCHEMBL6071398 0.81 MAPT (0.53) MAPTHPGDTSHRNPC1TP53
SCHEMBL5441326 0.81 MAOB (0.79) MAOBCTNNB1WNT3AMETTL3
SCHEMBL5442402 0.80 MAOB (0.74) NPC1RAB9AMAOBCTNNB1WNT3A
SCHEMBL5179231 0.80 MAOB (0.70) NPC1RAB9AMAOBCTNNB1WNT3A
SCHEMBL6070896 0.80 MAPT (0.54) MAPTHPGDTSHRNPC1TP53
SCHEMBL5413315 0.79 MAOB (0.58) MAPTHPGDRAB9AMAOBCTNNB1
SCHEMBL29286759 0.78 HPGD (1.00) MAPTHPGDTSHRNPC1TP53
SCHEMBL5414932 0.77 ROCK2 (0.68) NPC1RAB9AMAOBCTNNB1WNT3A
SCHEMBL19086030 0.77 MAOB (0.62) NPC1RAB9AMAOBCTNNB1WNT3A
SCHEMBL5407810 0.77 MAOB (0.69) MAOBCTNNB1WNT3AMETTL3PSMD14

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 MAPT 3261/4885HPGD 708/4885TSHR 2487/4885

“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.