SCHEMBL5017165

SCHEMBL5017165

CC(C)(C)C(=O)N1C=CC=C(c2nc3ncccc3[nH]2)C=C1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 5/20 0.42
HPSE Q9Y251 2/20 0.41
METAP1 P53582 2/20 0.40
METAP2 P50579 1/20 0.40
AURKA O14965 6/20 0.39
PRMT5 O14744 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL4048715 0.74 METAP1 (0.58) PDE5AHPSEMETAP1METAP2AURKA
SCHEMBL1170747 0.66 METAP1 (0.72) PDE5AHPSEMETAP1METAP2AURKA
SCHEMBL24112427 0.64 NUDT1 (0.53) PDE5AHPSEMETAP1METAP2AURKA
SCHEMBL14115825 0.63 METAP1 (0.49) PDE5AHPSEMETAP1METAP2AURKA
SCHEMBL27593194 0.62 ALDH1A1 (0.49) PDE5AHPSEPRMT5KMT2A
SCHEMBL14022276 0.62 HPSE (0.65) PDE5AHPSEAURKAPRMT5
SCHEMBL14115848 0.62 AURKA (0.62) PDE5AHPSEMETAP1METAP2AURKA
SCHEMBL10432840 0.62 PDE5A (0.43) PDE5AHPSEMETAP1METAP2AURKA
SCHEMBL10432837 0.62 HPSE (0.43) PDE5AHPSEMETAP1METAP2AURKA
SCHEMBL27787407 0.62 METAP1 (0.66) PDE5AHPSEMETAP1METAP2AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1250337-B1 SUBSTITUTED HOMOPIPERIDINYL BENZIMIDAZOLE ANALOGUES AS FUNDIC RELAXANTS JANSSEN PHARMACEUTICA NV (BE) 2008-12-03 EP disclosed
US-7304052-B2 Substituted homopiperidinyl benzimidazole analogues as fundic relaxants JANSSEN PHARMACEUITCA N.V. (BE) 2007-12-04 US disclosed
US-20030139393-A1 Substituted homopiperidinyl benzimidazole analogues as fundic relaxants JANSSEN PHARMACEUTICA N.V. (BE) 2003-07-24 US disclosed
EP-1250337-A1 SUBSTITUTED HOMOPIPERIDINYL BENZIMIDAZOLE ANALOGUES AS FUNDIC RELAXANTS Janssen Pharmaceutica N.V. (BE) 2002-10-23 EP disclosed
WO-2001046189-A1 SUBSTITUTED HOMOPIPERIDINYL BENZIMIDAZOLE ANALOGUES AS FUNDIC RELAXANTS JANSSEN PHARMACEUTICA N.V. (BE) 2001-06-28 WO 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-20030139393-A1 Substituted homopiperidinyl benzimidazole analogues as fundic relaxants HRH2, CBR1, HTR1D PDE5A 447/4885HPSE 4345/4885METAP1 3523/4885

“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.