SCHEMBL3400537

SCHEMBL3400537

Nc1nc2ccccc2n1CCN1CCCC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.66
POLB P06746 2/20 0.62
TLR8 Q9NR97 3/20 0.59
CYP2D6 P10635 2/20 0.57
HTT P42858 2/20 0.57
CYP1A2 P05177 1/20 0.57
ALOX15 P16050 2/20 0.53
MAPT P10636 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
USP2 O75604 1/20 0.53
TSHR P16473 1/20 0.53
LMNA P02545 2/20 0.52
PKM P14618 3/20 0.52
OPRK1 P41145 3/20 0.52
ALDH1A1 P00352 1/20 0.52
GAA P10253 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 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
SCHEMBL3761561 0.98 CXCR4 (0.64) CXCR4POLBTLR8CYP2D6HTT
SCHEMBL10025495 0.91 CXCR4 (0.71) CXCR4POLBTLR8CYP2D6HTT
SCHEMBL11718288 0.90 CXCR4 (0.69) CXCR4POLBTLR8CYP2D6HTT
SCHEMBL3599686 0.88 LMNA (0.68) CXCR4POLBTLR8CYP2D6HTT
SCHEMBL823412 0.88 POLB (0.63) CXCR4POLBTLR8CYP2D6HTT
SCHEMBL6199065 0.87 CXCR4 (0.85) CXCR4POLBTLR8CYP2D6HTT
SCHEMBL23362149 0.84 CXCR4 (0.57) CXCR4POLBTLR8CYP2D6HTT
SCHEMBL11712420 0.81 CXCR4 (0.66) CXCR4POLBTLR8CYP2D6HTT
SCHEMBL3757039 0.80 LMNA (0.74) POLBCYP2D6HTTALOX15MAPT
SCHEMBL6196399 0.80 CXCR4 (1.00) CXCR4POLBTLR8CYP2D6HTT

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 11 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 claimed
US-20100297038-A1 Benzimidazole Derivatives And Their Use As Cooling Agents GIVAUDAN S.A. (CH) 2010-11-25 US claimed
EP-2250154-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS COOLING AGENTS Givaudan SA (CH) 2010-11-17 EP claimed
WO-2009089641-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS COOLING AGENTS GIVAUDAN SA (CH) 2009-07-23 WO claimed
US-20210322456-A1 BENZIMIDAZOLES THAT ENHANCE THE ACTIVITY OF OLIGONUCLEOTIDES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2021-10-21 US disclosed
US-11040056-B2 Benzimidazoles that enhance the activity of oligonucleotides THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2021-06-22 US disclosed
US-20190343868-A1 BENZIMIDAZOLES THAT ENHANCE THE ACTIVITY OF OLIGONUCLEOTIDES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2019-11-14 US 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-20100297038-A1 Benzimidazole Derivatives And Their Use As Cooling Agents GIVAUDAN S.A. (CH) 2010-11-25 US disclosed
EP-2250154-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS COOLING AGENTS Givaudan SA (CH) 2010-11-17 EP disclosed
WO-2009089641-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS COOLING AGENTS GIVAUDAN SA (CH) 2009-07-23 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 (4 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-20100297038-A1 Benzimidazole Derivatives And Their Use As Cooling Agents OR10J3, H1-3, ORC3 CXCR4 611/4885POLB 2220/4885TLR8 3628/4885
US-20210322456-A1 BENZIMIDAZOLES THAT ENHANCE THE ACTIVITY OF OLIGONUCLEOTIDES CFTR, POLRMT, NSUN2 CXCR4 2078/4885POLB 27/4885TLR8 2537/4885
US-20190343868-A1 BENZIMIDAZOLES THAT ENHANCE THE ACTIVITY OF OLIGONUCLEOTIDES CFTR, POLRMT, NSUN2 CXCR4 2078/4885POLB 27/4885TLR8 2537/4885
US-11040056-B2 Benzimidazoles that enhance the activity of oligonucleotides CFTR, POLRMT, NSUN2 CXCR4 2078/4885POLB 27/4885TLR8 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.