SCHEMBL3372070

SCHEMBL3372070

COc1ccc(ON)c(OC)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.74
CA1 P00915 1/20 0.74
CA2 P00918 1/20 0.74
CA7 P43166 1/20 0.74
CA9 Q16790 1/20 0.74
CA14 Q9ULX7 1/20 0.74
ALDH1A1 P00352 4/20 0.57
CYP3A4 P08684 2/20 0.57
MEN1 O00255 1/20 0.57
MAPT P10636 1/20 0.57
THRB P10828 1/20 0.57
KMT2A Q03164 1/20 0.57
CYP1A1 P04798 5/20 0.55
CYP1A2 P05177 5/20 0.55
CYP1B1 Q16678 5/20 0.55
IDO1 P14902 2/20 0.55
ADRA1A P35348 2/20 0.50
NFE2L2 Q16236 1/20 0.50
HPGD P15428 1/20 0.50
RAD52 P43351 1/20 0.50

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
1,2,4-Trimethoxybenzene SCHEMBL481491 0.85 CA12 (1.00) CA12CA1CA2CA7CA9
1,2,4-Trimethoxybenzene SCHEMBL27777905 0.85 CA12 (1.00) CA12CA1CA2CA7CA9
1,2,4-Trimethoxybenzene SCHEMBL29350371 0.85 CA12 (1.00) CA12CA1CA2CA7CA9
SCHEMBL9941710 0.81 CA12 (0.81) CA12CA1CA2CA7CA9
SCHEMBL8114196 0.80 CA12 (0.52) CA12CA1CA2CA7CA9
1,2,4-Trimethoxybenzene SCHEMBL27582647 0.79 CA2 (0.86) CA12CA1CA2CA7CA9
1,2,4-Trimethoxybenzene SCHEMBL27740813 0.79 CA12 (0.86) CA12CA1CA2CA7CA9
SCHEMBL9307987 0.77 CA12 (0.74) CA12CA1CA2CA7CA9
SCHEMBL7560864 0.77 CA12 (0.74) CA12CA1CA2CA7CA9
SCHEMBL11131043 0.77 ACHE (0.74) CA12CA1CA2CA7CA9

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 17 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
CN-100546980-C Benzimidazole derivatives, preparation method and medical application thereof S BIO PTE LTD (SG) 2009-10-07 CN disclosed
US-20070043043-A1 Benzimidazole derivates: preparation and pharmaceutical applications S*BIO PTE LTD. (SG) 2007-02-22 US disclosed
CN-1860103-A Benzimidazole derivatives, preparation method and medical application thereof S BIO PTE LTD (SG) 2006-11-08 CN 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 CA12 2307/4885CA1 2851/4885CA2 994/4885
US-20190282547-A1 BENZIMIDAZOLE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS HDAC5, HDAC1, HDAC8 CA12 2307/4885CA1 2851/4885CA2 994/4885
US-20070043043-A1 Benzimidazole derivates: preparation and pharmaceutical applications HDAC5, HDAC1, HDAC4 CA12 1990/4885CA1 2300/4885CA2 915/4885
US-10736881-B2 Benzimidazole derivatives: preparation and pharmaceutical applications HDAC5, HDAC1, HDAC8 CA12 2307/4885CA1 2851/4885CA2 994/4885
US-20140005194-A1 BENZIMIDAZOLE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS HDAC5, HDAC1, HDAC8 CA12 2307/4885CA1 2851/4885CA2 994/4885
US-20100256138-A1 BENZIMIDAZOLE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS HDAC5, HDAC1, HDAC8 CA12 2307/4885CA1 2851/4885CA2 994/4885
US-20160279102-A1 BENZIMIDAZOLE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS HDAC5, HDAC1, HDAC8 CA12 2307/4885CA1 2851/4885CA2 994/4885
US-20170360757-A1 BENZIMIDAZOLE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS HDAC5, HDAC1, HDAC8 CA12 2307/4885CA1 2851/4885CA2 994/4885
US-20150157608-A1 BENZIMIDAZOLE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS HDAC5, HDAC1, HDAC8 CA12 2307/4885CA1 2851/4885CA2 994/4885

“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.