Sugi Predict

Sugi Predict / Compounds / SCHEMBL6095618

SCHEMBL6095618

SCHEMBL6095618

NC(=O)CN1CCN(C(Cc2nc3ccccc3[nH]2)c2nc3ccccc3[nH]2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1G O43497 5/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ ALPL P05186 2/20 0.43
▸ DRD4 P21917 3/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ HTT P42858 2/20 0.43
▸ LMNA P02545 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ HPGD P15428 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ ALPI P09923 1/20 0.42

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
SCHEMBL6096282 0.75 DRD4 (0.65) MAPK1ALPLDRD4DRD2DRD3
SCHEMBL6094070 0.74 HCRTR1 (0.44) MAPK1ALPLHTTLMNAKMT2A
SCHEMBL6094061 0.74 HCRTR1 (0.44) MAPK1ALPLHTTLMNAKMT2A
SCHEMBL7238632 0.74 LMNA (0.46) MAPK1ALPLDRD4DRD2DRD3
SCHEMBL6095412 0.72 DRD4 (0.50) CACNA1GMAPK1ALPLDRD4DRD2
SCHEMBL6095609 0.72 HTT (0.49) CACNA1GDRD4DRD2HTTKMT2A
SCHEMBL6092577 0.71 PDE10A (0.45) MAPK1ALPLHTTLMNAKMT2A
SCHEMBL6094478 0.70 LMNA (0.49) MAPK1ALPLLMNAKMT2ATSHR
SCHEMBL6095538 0.70 DRD4 (0.48) MAPK1DRD4DRD3HTTLMNA
SCHEMBL29683786 0.69 CYP3A4 (0.65) MAPK1ALPLHTTLMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030150-B2 Benzimidazole compounds and antiviral uses thereof TRIMERIS, INC. 2006-04-18 — — US claimed
US-20030119754-A1 Benzimidazole compounds and antiviral uses thereof TRIMERIS, INC. 2003-06-26 — — US claimed
WO-2002092575-A1 BENZIMIDAZOLE COMPOUNDS AND ANTIVIRAL USES THEREOF TRIMERIS, INC. (US) 2002-11-21 — — WO claimed
US-20060142365-A1 Benzimidazole compounds and antiviral uses thereof TRIMERIS, INC. 2006-06-29 — — US disclosed
US-7030150-B2 Benzimidazole compounds and antiviral uses thereof TRIMERIS, INC. 2006-04-18 — — US disclosed
US-20030119754-A1 Benzimidazole compounds and antiviral uses thereof TRIMERIS, INC. 2003-06-26 — — US disclosed
WO-2002092575-A1 BENZIMIDAZOLE COMPOUNDS AND ANTIVIRAL USES THEREOF TRIMERIS, INC. (US) 2002-11-21 — — 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 (2 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-20060142365-A1 Benzimidazole compounds and antiviral uses thereof MAVS, ZC3HAV1, TIMM13 CACNA1G 4287/4885MAPK1 4322/4885ALPL 2537/4885
US-20030119754-A1 Benzimidazole compounds and antiviral uses thereof MAVS, ZC3HAV1, TIMM13 CACNA1G 4287/4885MAPK1 4322/4885ALPL 2537/4885

“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.