SCHEMBL2644339

SCHEMBL2644339

O=C(CCc1ccccc1)C1CCC[N]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.46
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
NPC1 O15118 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP2C19 P33261 1/20 0.43
FFAR1 O14842 1/20 0.43
HDAC1 Q13547 3/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
EPHX2 P34913 2/20 0.41
EPHX1 P07099 2/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40

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
SCHEMBL2645803 0.84 FAAH (0.49) ALDH1A1L3MBTL1POLBHPGDEPHX2
SCHEMBL5758340 0.79 EPHX2 (0.47) ALDH1A1L3MBTL1POLBHPGDEPHX2
SCHEMBL14036245 0.75 ALDH1A1 (0.56) KEAP1HDAC2HDAC8HDAC6NPC1
SCHEMBL5880795 0.75 ALDH1A1 (0.60) KEAP1HDAC2HDAC8HDAC6NPC1
SCHEMBL9431959 0.75 FKBP1A (0.51) ALDH1A1SMN1; SMN2
SCHEMBL27109144 0.74 KEAP1 (0.57) KEAP1HDAC2HDAC8HDAC6NPC1
SCHEMBL5160492 0.74 TSHR (0.49) NPC1TDP1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL11880887 0.73 ALDH1A1 (0.63) KEAP1NPC1TDP1ALDH1A1L3MBTL1
SCHEMBL2645081 0.72
SCHEMBL2646530 0.71 MCL1 (0.46) NPC1ALDH1A1L3MBTL1POLBEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1702919-B1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE MSD KK (JP) 2012-05-30 EP disclosed
US-7728025-B2 2-heteroaryl-substituted benzimidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US disclosed
US-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
EP-1702919-A1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-09-20 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-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative GCK, GCKR, HK1 KEAP1 1239/4885HDAC2 170/4885HDAC8 56/4885

“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.