SCHEMBL3520495

SCHEMBL3520495

N#CCCN(CCCN(CCC#N)Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
GAA P10253 1/20 0.48
ALDH1A1 P00352 4/20 0.47
LCK P06239 1/20 0.46
BCHE P06276 2/20 0.42
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
NCOR2 Q9Y618 2/20 0.41
AR P10275 1/20 0.41

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
SCHEMBL712716 0.98 LCK (0.48) POLBGAAALDH1A1LCKBCHE
SCHEMBL10962715 0.95 POLB (0.47) POLBGAAALDH1A1LCKBCHE
SCHEMBL716384 0.94 ALDH1A1 (0.52) POLBGAAALDH1A1AR
SCHEMBL7877735 0.91 ALDH1A1 (0.48) POLBGAAALDH1A1BCHEHDAC3
SCHEMBL151627 0.90 ALDH1A1 (0.52) POLBGAAALDH1A1HDAC3HDAC1
SCHEMBL17508109 0.89 ALDH1A1 (0.47) POLBGAAALDH1A1BCHEHDAC3
SCHEMBL13426179 0.89 LCK (0.47) POLBGAAALDH1A1LCK
SCHEMBL154270 0.87 ALDH1A1 (0.48) POLBGAAALDH1A1BCHEHDAC3
SCHEMBL8987713 0.85 HDAC3 (0.49) POLBGAAALDH1A1BCHEHDAC3
Hydrochloric Acid SCHEMBL11203276 0.85 ALDH1A1 (0.47) POLBGAAALDH1A1BCHEHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803804-B2 Substituted pyrazines for use in the treatment of inflammatory or allergic conditions NOVARTIS AG (CH) 2010-09-28 US disclosed
US-20080312217-A1 Organic Compounds NOVARTIS AG 2008-12-18 US 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-20080312217-A1 Organic Compounds TRPA1, TRPV1, CHRM1 POLB 3189/4885GAA 3452/4885ALDH1A1 567/4885

“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.