SCHEMBL3368706

SCHEMBL3368706

COC(=O)C=Cc1ccc(C(N)CCO)c([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.43
APP P05067 1/20 0.43
MAPT P10636 4/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
JAK2 O60674 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTPN1 P18031 1/20 0.41
FDPS P14324 1/20 0.41
P2RY6 Q15077 1/20 0.41
EPHX2 P34913 1/20 0.41
BACE1 P56817 3/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
TYR P14679 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 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
SCHEMBL3367384 1.00 TTR (0.43) TTRAPPMAPTKDM4EALDH1A1
SCHEMBL3372594 0.86 PLA2G4A (0.46) TTRAPPMAPTKDM4EALDH1A1
SCHEMBL3368315 0.86 PLA2G4A (0.46) TTRAPPMAPTKDM4EALDH1A1
SCHEMBL8237371 0.77 TTR (0.52) TTRAPPMAPTKDM4EALDH1A1
SCHEMBL18046810 0.77 TTR (0.52) TTRAPPMAPTKDM4EALDH1A1
SCHEMBL833038 0.76 ALDH1A1 (0.50) TTRAPPMAPTKDM4EALDH1A1
SCHEMBL833039 0.76 ALDH1A1 (0.50) TTRAPPMAPTKDM4EALDH1A1
SCHEMBL29913976 0.76 APP (0.66) TTRAPPMAPTKDM4EALDH1A1
SCHEMBL6168986 0.76 ALDH1A1 (0.57) TTRAPPMAPTKDM4EALDH1A1
SCHEMBL6168977 0.76 ALDH1A1 (0.57) TTRAPPMAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10736881-B2 Benzimidazole derivatives: preparation and pharmaceutical applications MEI PHARMA, INC. (US) 2020-08-11 US disclosed
US-20190282547-A1 BENZIMIDAZOLE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*BIO PTE LTD. (SG) 2019-09-19 US disclosed
US-10201527-B2 Benzimidazole derivatives: preparation and pharmaceutical applications MEI PHARMA, INC. (US) 2019-02-12 US disclosed
US-20170360757-A1 BENZIMIDAZOLE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*BIO PTE LTD. (SG) 2017-12-21 US disclosed
US-9717713-B2 Benzimidazole derivatives: preparation and pharmaceutical applications MEI PHARMA, INC. (US) 2017-08-01 US disclosed
US-20160279102-A1 BENZIMIDAZOLE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*BIO PTE LTD. (SG) 2016-09-29 US disclosed
US-9402829-B2 Benzimidazole derivatives: preparation and pharmaceutical applications MEI PHARMA, INC. (US) 2016-08-02 US disclosed
US-20150157608-A1 BENZIMIDAZOLE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*BIO PTE LTD. (SG) 2015-06-11 US disclosed
US-9024029-B2 Benzimidazole derivatives: preparation and pharmaceutical applications MEI PHARMA, INC. (US) 2015-05-05 US disclosed
US-20140005194-A1 BENZIMIDAZOLE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS MEI PHARMA, INC. (US) 2014-01-02 US disclosed
US-8551988-B2 Benzimidazole derivatives: preparation and pharmaceutical applications MEI PHARMA, INC. (US) 2013-10-08 US disclosed
US-20100256138-A1 BENZIMIDAZOLE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*BIO PTE LTD. (SG) 2010-10-07 US disclosed
US-7781595-B2 Benzimidazole derivatives: preparation and pharmaceutical applications S*BIO PTE LTD. (SG) 2010-08-24 US disclosed
EP-1673349-B1 BENZIMIDAZOLE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S BIO PTE LTD (SG) 2010-06-30 EP disclosed
EP-1673349-A4 BENZIMIDAZOLE DERIVATES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S BIO PTE LTD (SG) 2008-01-23 EP disclosed
US-20070043043-A1 Benzimidazole derivates: preparation and pharmaceutical applications S*BIO PTE LTD. (SG) 2007-02-22 US disclosed
EP-1673349-A1 BENZIMIDAZOLE DERIVATES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*Bio Pte Ltd (SG) 2006-06-28 EP disclosed
WO-2005028447-A1 BENZIMIDAZOLE DERIVATES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*BIO PTE LTD (SG) 2005-03-31 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 (9 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-10201527-B2 Benzimidazole derivatives: preparation and pharmaceutical applications HDAC5, HDAC1, HDAC8 TTR 4835/4885APP 4823/4885MAPT 3329/4885
US-20190282547-A1 BENZIMIDAZOLE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS HDAC5, HDAC1, HDAC8 TTR 4835/4885APP 4823/4885MAPT 3329/4885
US-20070043043-A1 Benzimidazole derivates: preparation and pharmaceutical applications HDAC5, HDAC1, HDAC4 TTR 4831/4885APP 4830/4885MAPT 3202/4885
US-10736881-B2 Benzimidazole derivatives: preparation and pharmaceutical applications HDAC5, HDAC1, HDAC8 TTR 4835/4885APP 4823/4885MAPT 3329/4885
US-20140005194-A1 BENZIMIDAZOLE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS HDAC5, HDAC1, HDAC8 TTR 4835/4885APP 4823/4885MAPT 3329/4885
US-20100256138-A1 BENZIMIDAZOLE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS HDAC5, HDAC1, HDAC8 TTR 4835/4885APP 4823/4885MAPT 3329/4885
US-20160279102-A1 BENZIMIDAZOLE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS HDAC5, HDAC1, HDAC8 TTR 4835/4885APP 4823/4885MAPT 3329/4885
US-20170360757-A1 BENZIMIDAZOLE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS HDAC5, HDAC1, HDAC8 TTR 4835/4885APP 4823/4885MAPT 3329/4885
US-20150157608-A1 BENZIMIDAZOLE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS HDAC5, HDAC1, HDAC8 TTR 4835/4885APP 4823/4885MAPT 3329/4885

“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.