SCHEMBL2646530

SCHEMBL2646530

O=C(c1ccccc1)C1CCC[N]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.46
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
HBB P68871 1/20 0.39
SLC18A3 Q16572 2/20 0.38
EPHX1 P07099 1/20 0.38
DAO P14920 1/20 0.37
TSHR P16473 1/20 0.37
NAPRT Q6XQN6 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTR2A P28223 1/20 0.36
CPB1 P15086 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL3 Q96JM7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL1624945 0.95 MCL1 (0.49) MCL1MAPTALOX15HTTHBB
SCHEMBL8924501 0.82 MCL1 (0.44) MCL1MAPTALOX15HTTHBB
SCHEMBL2645803 0.74 FAAH (0.49) CES2CES1ALDH1A1L3MBTL1POLB
SCHEMBL2569683 0.74 KMT2A (0.39) MCL1MAPTALOX15HTTHBB
SCHEMBL7295695 0.71 MCL1 (0.44) MCL1MAPTSLC18A3ALDH1A1HTR2A
SCHEMBL9041510 0.71 SRD5A2 (0.47) MCL1SLC18A3ALDH1A1HTR2ACPB1
SCHEMBL27848887 0.71 MCL1 (0.51) MCL1MAPTALOX15HTTHBB
SCHEMBL7373256 0.71 CES2 (0.43) MAPTALOX15CES2CES1ALDH1A1
SCHEMBL5231305 0.71
SCHEMBL917888 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070232673-A1 2-Imino-benzimidazoles ABBOTT LABORATORIES 2007-10-04 US claimed
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
EP-1983992-A2 2-IMINO-BENZIMIDAZOLES Abbott Laboratories (US) 2008-10-29 EP disclosed
US-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
US-20070232673-A1 2-Imino-benzimidazoles ABBOTT LABORATORIES 2007-10-04 US disclosed
WO-2007084728-A2 2-IMINO-BENZIMIDAZOLES ABBOTT LABORATORIES (US) 2007-07-26 WO 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 (2 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 MCL1 4845/4885MAPT 3676/4885ALOX15 4147/4885
US-20070232673-A1 2-Imino-benzimidazoles CYP2C19, UGT2B7, UGT2B17 MCL1 53/4885MAPT 2918/4885ALOX15 4316/4885

“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.