SCHEMBL5109671

SCHEMBL5109671

COC1(c2ccccc2C)CCc2c(C(=O)NC3CC3)cc3c(nc(C)n3C)c2O1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.34
RAB9A P51151 3/20 0.33
NPC1 O15118 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CNR1 P21554 3/20 0.33
CNR2 P34972 3/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KLK7 P49862 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KMT2A Q03164 1/20 0.32
TNKS O95271 1/20 0.32
CRHR1 P34998 1/20 0.32
CRHR2 Q13324 1/20 0.32

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
SCHEMBL5103340 0.90
SCHEMBL5109455 0.87 DHODH (0.33)
SCHEMBL5115255 0.84 HTT (0.36) RORCKMT2A
SCHEMBL4737882 0.82 RAB9A (0.35) RAB9ANPC1CNR1CNR2KMT2A
SCHEMBL4963101 0.78 DHODH (0.34)
SCHEMBL4964116 0.76 RAB9A (0.36) RORCRAB9ANPC1RXFP1CNR1
SCHEMBL4663231 0.74 LIPG (0.39) RAB9ARXFP1CNR1CNR2TNKS
SCHEMBL4961708 0.74 KDM4E (0.34) RAB9ANPC1SMN1; SMN2L3MBTL1KMT2A
SCHEMBL4784972 0.72 NPY5R (0.33) RAB9ANPC1TP53SMN1; SMN2
SCHEMBL4739802 0.71 NPC1 (0.32) RAB9ANPC1TP53SMN1; 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-20080280855-A1 Process For the Production of Intermediates For the Preparation of Tricyclic Benzimidazoles NYCOMED GMBH (DE) 2008-11-13 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-20080280855-A1 Process For the Production of Intermediates For the Preparation of Tricyclic Benzimidazoles CYP1B1, CYP1A1, CYP3A4 RORC 2699/4885RAB9A 2427/4885NPC1 1421/4885

“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.