SCHEMBL15838864

SCHEMBL15838864

CCCN(CCC)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Br)cc2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.67
▸ ALDH1A1 P00352 3/20 0.67
▸ TSHR P16473 2/20 0.67
▸ MAPK1 P28482 2/20 0.67
▸ GAA P10253 1/20 0.67
▸ NPSR1 Q6W5P4 1/20 0.67
▸ MEN1 O00255 4/20 0.65
▸ KMT2A Q03164 4/20 0.65
▸ SMN1; SMN2 Q16637 4/20 0.65
▸ LMNA P02545 3/20 0.65
▸ HSP90AA1 P07900 1/20 0.65
▸ ADORA3 P0DMS8 1/20 0.61
▸ SLC6A3 Q01959 1/20 0.61
▸ POLB P06746 2/20 0.61
▸ CA12 O43570 6/20 0.60
▸ CA9 Q16790 6/20 0.60
▸ CA1 P00915 4/20 0.60
▸ RAB9A P51151 2/20 0.58
▸ TP53 P04637 2/20 0.57
▸ NPC1 O15118 1/20 0.55

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
SCHEMBL15838841 0.90 ALDH1A1 (0.66) MAPTALDH1A1TSHRMAPK1GAA
SCHEMBL15838840 0.84 CA12 (0.58) MAPTALDH1A1TSHRMAPK1GAA
SCHEMBL21844936 0.83 ALDH1A1 (0.63) MAPTALDH1A1TSHRMAPK1GAA
SCHEMBL17947763 0.80 CA9 (0.90) MAPTGAANPSR1MEN1KMT2A
SCHEMBL15962516 0.80 MEN1 (0.70) MAPTALDH1A1TSHRMAPK1GAA
SCHEMBL15953012 0.79 CA12 (0.84) MAPTALDH1A1TSHRMAPK1GAA
SCHEMBL14485108 0.79 SMN1; SMN2 (1.00) MAPTALDH1A1TSHRMAPK1GAA
SCHEMBL14485232 0.79 MAPT (0.82) MAPTALDH1A1TSHRMAPK1MEN1
SCHEMBL19631199 0.77 SMN1; SMN2 (0.73) MAPTALDH1A1TSHRMAPK1GAA
SCHEMBL29372795 0.77 CA9 (0.65) MAPTALDH1A1TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9890117-B2 Benzamide compounds and related methods of use NORTHWESTERN UNIVERSITY (US) 2018-02-13 — — US disclosed
US-9890117-B2 Benzamide compounds and related methods of use NORTHWESTERN UNIVERSITY (US) 2018-02-13 — — US disclosed
US-20170050926-A1 Benzamide Compounds and Related Methods of Use NORTHWESTERN UNIVERSITY 2017-02-23 — — US disclosed
US-20170050926-A1 Benzamide Compounds and Related Methods of Use NORTHWESTERN UNIVERSITY 2017-02-23 — — US disclosed
US-9533947-B2 Benzamide compounds and related methods of use NORTHWESTERN UNIVERSITY (US) 2017-01-03 — — US disclosed
US-9371277-B2 Benzamide compounds and related methods of use NORTHWESTERN UNIVERSITY (US) 2016-06-21 — — US disclosed
US-20150025235-A1 Benzamide Compounds and Related Methods of Use NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-01-22 — — US disclosed
US-20150025235-A1 Benzamide Compounds and Related Methods of Use NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-01-22 — — US disclosed
US-20140234939-A1 Benzamide Compounds and Related Methods of Use NORTHWESTERN UNIVERSITY (US) 2014-08-21 — — US disclosed
WO-2014100833-A1 BENZAMIDE COMPOUNDS AND RELATED METHODS OF USE NORTHWESTERN UNIVERSITY (US) 2014-06-26 — — 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 (3 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-20170050926-A1 Benzamide Compounds and Related Methods of Use SIRT2, SIRT1, SIRT3 MAPT 248/4885ALDH1A1 929/4885TSHR 3406/4885
US-20140234939-A1 Benzamide Compounds and Related Methods of Use SIRT2, SIRT1, SIRT3 MAPT 248/4885ALDH1A1 929/4885TSHR 3406/4885
US-20150025235-A1 Benzamide Compounds and Related Methods of Use SIRT2, SIRT1, SIRT3 MAPT 248/4885ALDH1A1 929/4885TSHR 3406/4885

“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.

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