SCHEMBL8562225

SCHEMBL8562225

CCN(CC)CCn1c(N)nc2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.69
PKM P14618 1/20 0.69
TLR8 Q9NR97 3/20 0.66
CYP1A2 P05177 1/20 0.64
CYP2D6 P10635 1/20 0.64
HTT P42858 1/20 0.64
CXCR4 P61073 1/20 0.64
USP2 O75604 1/20 0.57
NPC1 O15118 1/20 0.57
GAA P10253 1/20 0.57
RAD52 P43351 1/20 0.57
RAB9A P51151 1/20 0.57
SMARCA2 P51531 1/20 0.57
TOP2A P11388 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
CCR6 P51684 1/20 0.52
MLNR O43193 1/20 0.51
ADORA3 P0DMS8 1/20 0.51

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
SCHEMBL17749602 0.90 POLB (0.72) POLBPKMTLR8CYP1A2CYP2D6
SCHEMBL6930946 0.84 POLB (0.69) POLBTLR8CYP1A2CYP2D6HTT
Hydrochloric Acid SCHEMBL6934113 0.83 POLB (0.67) POLBPKMTLR8CYP1A2CYP2D6
SCHEMBL17749517 0.83 PKM (0.49) POLBPKMTLR8CYP1A2CYP2D6
SCHEMBL5460813 0.82 CXCR4 (0.60) POLBPKMTLR8CYP1A2CYP2D6
SCHEMBL1520381 0.82 POLB (1.00) POLBTLR8CYP1A2CYP2D6HTT
SCHEMBL10533342 0.82 PKM (0.69) POLBPKMHTTUSP2NPC1
SCHEMBL6199065 0.82 CXCR4 (0.85) POLBTLR8CYP1A2CYP2D6HTT
SCHEMBL17749585 0.81 POLB (0.63) POLBPKMTLR8CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL8607035 0.80 PKM (0.67) POLBPKMHTTUSP2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016077541-A1 NOVEL ANTI-INFECTIVE COMPOUNDS AND METHODS USING SAME THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-05-19 WO disclosed
WO-2016077541-A1 NOVEL ANTI-INFECTIVE COMPOUNDS AND METHODS USING SAME THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-05-19 WO disclosed
US-8207173-B2 Benzimidazoles and analogs thereof as antivirals ISIS PHARMACEUTICALS, INC. (US) 2012-06-26 US disclosed
US-8207173-B2 Benzimidazoles and analogs thereof as antivirals ISIS PHARMACEUTICALS, INC. (US) 2012-06-26 US disclosed
US-20100130513-A1 BENZIMIDAZOLES AND ANALOGS THEREOF AS ANTIVIRALS ISIS PHARMACEUTICALS, INC. (US) 2010-05-27 US disclosed
US-20100130513-A1 BENZIMIDAZOLES AND ANALOGS THEREOF AS ANTIVIRALS ISIS PHARMACEUTICALS, INC. (US) 2010-05-27 US disclosed
US-7642265-B2 Benzimidazoles and analogs thereof as antivirals ISIS PHARMACEUTICALS, INC. (US) 2010-01-05 US disclosed
US-7642265-B2 Benzimidazoles and analogs thereof as antivirals ISIS PHARMACEUTICALS, INC. (US) 2010-01-05 US disclosed
EP-0571253-B1 Benzimidazole derivatives with antidiabetic and antiplatelet aggregation activity ADIR (FR) 1998-11-04 EP disclosed
US-5639756-A ANTIDIABETIC AGENTS ADIR ET COMPAGNIE (FR) 1997-06-17 US disclosed
US-5623073-A ANTIDIABETIC AGENT ADIR ET COMPAGNIE (FR) 1997-04-22 US disclosed
EP-0571253-A1 Benzimidazole derivatives with antidiabetic and antiplatelet aggregation activity ADIR ET COMPAGNIE (FR) 1993-11-24 EP 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-20100130513-A1 BENZIMIDAZOLES AND ANALOGS THEREOF AS ANTIVIRALS ZC3HAV1, NXF1, ZC3HAV1L POLB 865/4885PKM 3590/4885TLR8 4042/4885

“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.