Sugi Predict

Sugi Predict / Compounds / SCHEMBL6096282

SCHEMBL6096282

SCHEMBL6096282

c1ccc(N2CCN(C(Cc3nc4ccccc4[nH]3)c3nc4ccccc4[nH]3)CC2)nc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 13/20 0.65
▸ DRD2 P14416 2/20 0.65
▸ CYP3A4 P08684 2/20 0.64
▸ KDM4E B2RXH2 1/20 0.64
▸ ALDH1A1 P00352 1/20 0.64
▸ ALOX15 P16050 1/20 0.64
▸ OPRK1 P41145 1/20 0.64
▸ SIGMAR1 Q99720 1/20 0.64
▸ MAPT P10636 2/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ DRD3 P35462 1/20 0.46
▸ MAPK1 P28482 2/20 0.44
▸ ALPL P05186 2/20 0.44
▸ KMT2A Q03164 2/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ PARP1 P09874 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
SCHEMBL3397736 0.80 MAPT (0.60) DRD4DRD2CYP3A4KDM4EALDH1A1
Abt-724 SCHEMBL29406160 0.79 DRD4 (1.00) DRD4DRD2CYP3A4KDM4EALDH1A1
Abt-724 SCHEMBL1448486 0.79 DRD4 (1.00) DRD4DRD2CYP3A4KDM4EALDH1A1
Abt-724 SCHEMBL29634880 0.78 DRD4 (1.00) DRD4DRD2CYP3A4KDM4EALDH1A1
Abt-724 SCHEMBL6316908 0.78 DRD4 (1.00) DRD4DRD2CYP3A4KDM4EALDH1A1
SCHEMBL6095412 0.78 DRD4 (0.50) DRD4DRD2CYP3A4ALDH1A1MAPT
SCHEMBL7773671 0.76 DRD4 (0.63) DRD4DRD2CYP3A4KDM4EALDH1A1
Bromide SCHEMBL7773462 0.76 DRD4 (0.61) DRD4DRD2CYP3A4KDM4EALDH1A1
SCHEMBL6095538 0.75 DRD4 (0.48) DRD4KDM4EALDH1A1ALOX15SIGMAR1
SCHEMBL6095618 0.75 CACNA1G (0.43) DRD4DRD2CYP3A4KDM4EMAPT

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 DRD4 1827/4885DRD2 3371/4885CYP3A4 334/4885
US-20030119754-A1 Benzimidazole compounds and antiviral uses thereof MAVS, ZC3HAV1, TIMM13 DRD4 1827/4885DRD2 3371/4885CYP3A4 334/4885

“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.