SCHEMBL2085072

SCHEMBL2085072

CNc1c(C(=O)OC)cccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 7/20 0.48
POLB P06746 3/20 0.47
KDM4E B2RXH2 2/20 0.47
ATM Q13315 1/20 0.47
MAPT P10636 3/20 0.47
MAPK1 P28482 3/20 0.47
KCNMA1 Q12791 1/20 0.47
PKM P14618 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GLA P06280 1/20 0.46
LMNA P02545 1/20 0.45
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL15906692 0.86 TSHR (0.50) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL7500859 0.86 TSHR (0.50) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL544031 0.85 KMT2A (0.53) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL305239 0.84 TSHR (0.63) TSHRMEN1KMT2AALDH1A1POLB
SCHEMBL14249239 0.84 SMN1; SMN2 (0.49) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL7418132 0.83 TSHR (0.61) TSHRMEN1KMT2AALDH1A1POLB
SCHEMBL430054 0.83 SLC6A2 (0.58) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL28003093 0.83 TSHR (0.49) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL307312 0.82 TSHR (0.70) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL29959661 0.82 TSHR (0.70) TSHRSMN1; SMN2MEN1KMT2AALDH1A1

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2994469-B1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES INC (US) 2018-12-19 EP disclosed
US-20180282316-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. 2018-10-04 US disclosed
US-10017501-B2 Benzimidazole derivatives as bromodomain inhibitors GILEAD SCIENCES, INC. (US) 2018-07-10 US disclosed
US-10017501-B2 Benzimidazole derivatives as bromodomain inhibitors GILEAD SCIENCES, INC. (US) 2018-07-10 US disclosed
EP-2978759-B1 BENZIMIDAZOLONE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES INC (US) 2017-03-15 EP disclosed
US-20160376261-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. 2016-12-29 US disclosed
US-20160376261-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. 2016-12-29 US disclosed
US-9458145-B2 Benzimidazole derivatives as bromodomain inhibitors GILEAD SCIENCES, INC. (US) 2016-10-04 US disclosed
US-9458145-B2 Benzimidazole derivatives as bromodomain inhibitors GILEAD SCIENCES, INC. (US) 2016-10-04 US disclosed
US-9458145-B2 Benzimidazole derivatives as bromodomain inhibitors GILEAD SCIENCES, INC. (US) 2016-10-04 US disclosed
EP-2125753-A1 FUSED HETEROCYCLIC COMPOUNDS HAVING CRF ANTAGONISTIC ACTIVITY Takeda Pharmaceutical Company Limited (JP) 2009-12-02 EP disclosed
EP-2088861-A2 BENZIMIDAZOLE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2009-08-19 EP disclosed
EP-1874736-A4 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2008-08-20 EP disclosed
WO-2008082003-A1 FUSED HETEROCYCLIC COMPOUNDS HAVING CRF ANTAGONISTIC ACTIVITY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-10 WO disclosed
WO-2008051533-A2 BENZIMIDAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-02 WO disclosed
CN-101166729-A Fused heterocyclic compounds TAKEDA PHARMACEUTICAL (JP) 2008-04-23 CN disclosed
EP-1874736-A2 FUSED HETEROCYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2008-01-09 EP disclosed
WO-2006116412-A2 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-02 WO disclosed
US-6855713-B2 Benzimidazole derivatives, a process for their manufacture and use as a medicine BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-02-15 US disclosed
US-20030130265-A1 Benzimidazole derivatives, a process for their manufacture and use as a medicine BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-07-10 US 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 (4 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-20180282316-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 TSHR 2264/4885SMN1; SMN2 3348/4885MEN1 2554/4885
US-20030130265-A1 Benzimidazole derivatives, a process for their manufacture and use as a medicine TPSAB1, PRSS3, TPSD1 TSHR 969/4885SMN1; SMN2 2833/4885MEN1 2446/4885
US-10017501-B2 Benzimidazole derivatives as bromodomain inhibitors BRD4, BRD3, BRD1 TSHR 2264/4885SMN1; SMN2 3348/4885MEN1 2554/4885
US-20160376261-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 TSHR 2264/4885SMN1; SMN2 3348/4885MEN1 2554/4885

“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.