SCHEMBL15838828

SCHEMBL15838828

N#Cc1ccc(NC(=O)c2cccc(CN(Cc3ccc(F)c(F)c3)C3CC3)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 5/20 0.53
▸ SIRT2 Q8IXJ6 7/20 0.48
▸ LMNA P02545 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ CCR2 P41597 1/20 0.45
▸ PKN2 Q16513 2/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ KDM1A O60341 2/20 0.44
▸ BCL9 O00512 1/20 0.42
▸ CTNNB1 P35222 1/20 0.42
▸ NSD2 O96028 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MEP1B Q16820 1/20 0.42

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
Hydrochloric Acid SCHEMBL15826329 0.99 ROCK2 (0.52) ROCK2SIRT2LMNAPOLBSMN1; SMN2
SCHEMBL15838882 0.92 ROCK2 (0.61) ROCK2SIRT2LMNAPOLBSMN1; SMN2
Hydrochloric Acid SCHEMBL15819957 0.91 ROCK2 (0.60) ROCK2SIRT2LMNAPOLBSMN1; SMN2
SCHEMBL15838798 0.89 ROCK2 (0.52) ROCK2SIRT2LMNAPOLBSMN1; SMN2
SCHEMBL15838794 0.89 ROCK2 (0.49) ROCK2SIRT2LMNAPOLBSMN1; SMN2
Hydrochloric Acid SCHEMBL15826223 0.89 ROCK2 (0.51) ROCK2SIRT2LMNAPOLBSMN1; SMN2
SCHEMBL15838855 0.88 KCNQ3 (0.43) ROCK2SIRT2LMNABCL9CTNNB1
Hydrochloric Acid SCHEMBL15819600 0.88 ROCK2 (0.49) ROCK2SIRT2LMNAPOLBSMN1; SMN2
SCHEMBL15838797 0.88 ROCK2 (0.55) ROCK2SIRT2LMNAPOLBSMN1; SMN2
SCHEMBL15838891 0.87 ROCK2 (0.56) ROCK2SIRT2LMNAPOLBSMN1; SMN2

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 6 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-20170050926-A1 Benzamide Compounds and Related Methods of Use NORTHWESTERN UNIVERSITY 2017-02-23 — — 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-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 ROCK2 1718/4885SIRT2 1/4885LMNA 1970/4885
US-20140234939-A1 Benzamide Compounds and Related Methods of Use SIRT2, SIRT1, SIRT3 ROCK2 1718/4885SIRT2 1/4885LMNA 1970/4885
US-20150025235-A1 Benzamide Compounds and Related Methods of Use SIRT2, SIRT1, SIRT3 ROCK2 1718/4885SIRT2 1/4885LMNA 1970/4885

“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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