SCHEMBL15824654

SCHEMBL15824654

N#Cc1ccc(NC(=O)c2cccc(OCc3ccc(C(F)(F)F)cc3)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMPD1 P17405 1/20 0.65
▸ MAOB P27338 1/20 0.60
▸ ALOX15 P16050 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ MEN1 O00255 5/20 0.55
▸ KMT2A Q03164 5/20 0.55
▸ RXFP1 Q9HBX9 3/20 0.55
▸ LMNA P02545 1/20 0.55
▸ NPC1 O15118 2/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ MAPT P10636 1/20 0.53
▸ LRRK2 Q5S007 1/20 0.53
▸ NR1H4 Q96RI1 2/20 0.53
▸ PPARA Q07869 1/20 0.53
▸ PTPN1 P18031 1/20 0.52
▸ PTGS1 P23219 1/20 0.52
▸ BCL2L1 Q07817 1/20 0.52
▸ MCL1 Q07820 1/20 0.52

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
SCHEMBL15838871 0.91 SMPD1 (0.77) SMPD1ALOX15HSD17B10MEN1KMT2A
SCHEMBL15825515 0.89 SMPD1 (0.64) SMPD1ALOX15HSD17B10MEN1KMT2A
SCHEMBL15962517 0.88 SMPD1 (0.69) SMPD1ALOX15HSD17B10MEN1KMT2A
SCHEMBL15821075 0.88 SMPD1 (0.69) SMPD1MAOBALOX15HSD17B10MEN1
SCHEMBL15825021 0.85 SIRT2 (0.68) SMPD1ALOX15HSD17B10MEN1KMT2A
SCHEMBL15953969 0.85 SMPD1 (0.68) SMPD1MAOBALOX15HSD17B10MEN1
SCHEMBL15824646 0.85 SMPD1 (0.64) SMPD1ALOX15HSD17B10MEN1KMT2A
SCHEMBL15820900 0.84 SMPD1 (0.64) SMPD1ALOX15HSD17B10MEN1KMT2A
SCHEMBL15819449 0.83 SIRT2 (0.70) SMPD1ALOX15HSD17B10MEN1KMT2A
SCHEMBL15825643 0.83 SMPD1 (0.61) SMPD1MAOBALOX15HSD17B10MEN1

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 11 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
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 SMPD1 642/4885MAOB 181/4885ALOX15 4238/4885
US-20140234939-A1 Benzamide Compounds and Related Methods of Use SIRT2, SIRT1, SIRT3 SMPD1 642/4885MAOB 181/4885ALOX15 4238/4885
US-20150025235-A1 Benzamide Compounds and Related Methods of Use SIRT2, SIRT1, SIRT3 SMPD1 642/4885MAOB 181/4885ALOX15 4238/4885

“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.

Send feedback