SCHEMBL5115255

SCHEMBL5115255

COC1(c2ccccc2C)CCc2c(C(=O)N3CCC3)cc3c(nc(C)n3C)c2O1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.36
PDK2 Q15119 1/20 0.35
GBA1 P04062 4/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SPR P35270 1/20 0.32
PLAUR Q03405 1/20 0.31
RORC P51449 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL4965407 0.98 POLB (0.35) HTTPDK2GBA1MEN1KMT2A
SCHEMBL4962423 0.90 SPR (0.37) HTTPDK2MEN1KMT2APOLB
SCHEMBL5109455 0.89 DHODH (0.33)
SCHEMBL5103340 0.86
SCHEMBL5109671 0.84 RORC (0.34) KMT2ARORC
SCHEMBL4734384 0.80 KMT2A (0.36) HTTGBA1MEN1KMT2APOLB
SCHEMBL4738064 0.80 AVPR1A (0.34) MEN1KMT2APOLBLMNATSHR
SCHEMBL4963101 0.79 DHODH (0.34)
SCHEMBL4961347 0.76 BRD4 (0.33)
SCHEMBL4783797 0.76 RORC (0.38) HTTMEN1KMT2APOLBLMNA

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 HTT 3326/4885PDK2 553/4885GBA1 992/4885

“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.