SCHEMBL2644964

SCHEMBL2644964

O=C(C1CCCC1)N1[CH]CCCC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.42
HSD11B1 P28845 8/20 0.41
KEAP1 Q14145 1/20 0.39
GAA P10253 1/20 0.38
RECQL P46063 1/20 0.37
HSD11B2 P80365 2/20 0.37
LMNA P02545 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHRNB3 Q05901 1/20 0.36
CHRNA6 Q15825 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 1/20 0.35

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
SCHEMBL2645392 0.98 TSHR (0.50) TSHRALDH1A1HPGDHSD11B1KEAP1
SCHEMBL2645120 0.94 TSHR (0.48) TSHRALDH1A1HPGDHSD11B1KEAP1
SCHEMBL18228451 0.92 HPGD (0.52) TSHRALDH1A1HPGDHSD11B1KEAP1
SCHEMBL2647172 0.92 TSHR (0.52) TSHRALDH1A1HPGDHSD11B1KEAP1
SCHEMBL2835489 0.88 HPGD (0.45) TSHRALDH1A1HPGDHSD11B1KEAP1
SCHEMBL2646987 0.73 DPP4 (0.46)
SCHEMBL5202206 0.72
SCHEMBL4051525 0.71 HTT (0.58) ALDH1A1LMNASMN1; SMN2
SCHEMBL771963 0.70
SCHEMBL1363950 0.70

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 TSHR 3405/4885ALDH1A1 1188/4885HPGD 3233/4885

“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.