SCHEMBL95562

SCHEMBL95562

Nc1ccccc1NC(=O)CN1CCCC1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.68
ALDH1A1 P00352 5/20 0.66
KDM4E B2RXH2 2/20 0.66
HTT P42858 1/20 0.60
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
GAA P10253 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
RAD52 P43351 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
NPC1 O15118 2/20 0.57
POLB P06746 1/20 0.57
PKM P14618 1/20 0.57
TP53 P04637 1/20 0.56
RAB9A P51151 1/20 0.56

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
SCHEMBL17976399 0.98 ALDH1A1 (0.68) HPGDALDH1A1KDM4EHTTMEN1
SCHEMBL21416724 0.84 MEN1 (0.60) HPGDALDH1A1KDM4EMEN1KMT2A
SCHEMBL13118344 0.81 HPGD (1.00) HPGDALDH1A1KDM4EMEN1KMT2A
SCHEMBL791289 0.80 MEN1 (0.71) HPGDALDH1A1KDM4EMEN1KMT2A
SCHEMBL31030743 0.80 ALDH1A1 (0.77) HPGDALDH1A1KDM4EHTTMEN1
SCHEMBL5501404 0.80 NPC1 (0.70) HPGDALDH1A1KDM4EMEN1KMT2A
SCHEMBL2548511 0.79 ALDH1A1 (0.75) HPGDALDH1A1KDM4EHTTMEN1
SCHEMBL14568633 0.79 NPC1 (0.72) HPGDALDH1A1KDM4EMEN1KMT2A
SCHEMBL1644836 0.78 ALDH1A1 (0.97) ALDH1A1HTTMEN1KMT2AGAA
SCHEMBL3455874 0.78 ALDH1A1 (1.00) HPGDALDH1A1KDM4EHTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058085-A1 Deuterium Modified Benzimidazoles CONCERT PHARMACEUTICALS, INC. 2012-03-08 US disclosed
US-20120058085-A1 Deuterium Modified Benzimidazoles CONCERT PHARMACEUTICALS, INC. 2012-03-08 US disclosed
WO-2010132810-A1 DEUTERIUM MODIFIED BENZIMIDAZOLES CONCERT PHARMACEUTICALS, INC. (US) 2010-11-18 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 (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-20120058085-A1 Deuterium Modified Benzimidazoles POLRMT, EIF2AK2, DUT HPGD 953/4885ALDH1A1 1179/4885KDM4E 537/4885

“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.