SCHEMBL5415071

SCHEMBL5415071

CC(C)Oc1c(O)ccc2[nH]ncc12

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P4HB P07237 5/20 0.37
IDO1 P14902 2/20 0.37
MKNK1 Q9BUB5 1/20 0.35
NOS1 P29475 3/20 0.35
AXL P30530 2/20 0.35
FGFR1 P11362 1/20 0.35
BRD4 O60885 1/20 0.35
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
METAP2 P50579 1/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
TRPA1 O75762 1/20 0.33

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
SCHEMBL5412686 0.81 BRD4 (0.47) P4HBIDO1NOS1AXLFGFR1
SCHEMBL5410281 0.75 BRD4 (0.36) IDO1NOS1AXLFGFR1BRD4
SCHEMBL5401834 0.75 P4HB (0.48) P4HBIDO1NOS1AXLFGFR1
SCHEMBL26131847 0.72 MKNK1 (0.41) IDO1MKNK1NOS1AXLBRD4
SCHEMBL11911457 0.72 DHPS (0.39) BRD4CDK2CCNA1METAP2TRPA1
SCHEMBL5404343 0.72 FGFR1 (0.44) P4HBIDO1NOS1AXLFGFR1
SCHEMBL21437262 0.71 NOS1 (0.44) P4HBIDO1NOS1AXLFGFR1
SCHEMBL1141345 0.70 CDK2 (0.36) MKNK1BRD4CDK2CCNA1METAP2
SCHEMBL26131401 0.70 IDO1 (0.50) IDO1MKNK1NOS1AXLBRD4
Hydrochloric Acid SCHEMBL5418274 0.69 MKNK1 (0.33) MKNK1AXLBRD4

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 P4HB 4161/4885IDO1 2940/4885MKNK1 458/4885

“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.