SCHEMBL885252

SCHEMBL885252

CC(=O)NCc1cc(F)cc(F)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.48
METAP2 P50579 2/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.44
RIPK1 Q13546 1/20 0.44
AURKA O14965 1/20 0.43
KDM4E B2RXH2 1/20 0.42
EGLN1 Q9GZT9 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
PDE10A Q9Y233 1/20 0.40
PDK2 Q15119 1/20 0.40

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
SCHEMBL5670894 0.84 CYP3A4 (0.56) ALDH1A1KDM4E
SCHEMBL11210850 0.84 KMT2A (0.57) KMT2AHDAC1HDAC6ALDH1A1MAPT
SCHEMBL18415454 0.83 METAP2 (0.49) KMT2AMETAP2ALDH1A1MAPTPOLB
SCHEMBL23808921 0.82 KMT2A (0.47) KMT2AHDAC1HDAC6ALDH1A1MAPT
SCHEMBL885310 0.81 SRC (0.56) ALDH1A1POLBRAB9A
SCHEMBL30006359 0.81 SRC (0.56) ALDH1A1POLBRAB9A
SCHEMBL3563691 0.81 METAP2 (0.47) KMT2AMETAP2ALDH1A1POLBRAB9A
SCHEMBL23417936 0.80 KMT2A (0.46) KMT2AHDAC1HDAC6ALDH1A1MAPT
SCHEMBL22972298 0.80 NAMPT (0.49) KMT2AHDAC1
SCHEMBL23385216 0.79 CYP2C9 (0.50) METAP2POLBRIPK1AURKAEGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148537-B2 Substituted acetophenones useful as PDE4 inhibitors LEO PHARMA A/S (DK) 2012-04-03 US claimed
EP-2125736-B1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA AS (DK) 2011-03-30 EP claimed
US-20100035908-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA (DK) 2010-02-11 US claimed
EP-2125736-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS Leo Pharma A/S (DK) 2009-12-02 EP claimed
WO-2008077404-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA A/S (DK) 2008-07-03 WO claimed
WO-2023205415-A1 TRANSCRIPTION FACTOR EB ACTIVATORS AND USES THEREOF MITOBRIDGE INC. (US) 2023-10-26 WO disclosed
EP-3326715-A1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2018-05-30 EP disclosed
US-9656962-B2 Ring-contracted morphinans and the use thereof PURDUE PHARMA L.P. (US) 2017-05-23 US disclosed
US-20160340316-A1 RING-CONTRACTED MORPHINANS AND THE USE THEREOF PURDUE PHARMA L.P. 2016-11-24 US disclosed
US-8497380-B2 Substituted acetophenones useful as PDE4 inhibitors LEO PHARMA A/S (DK) 2013-07-30 US disclosed
US-20130012716-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS FELDING JAKOB (DK) 2013-01-10 US disclosed
US-8324394-B2 Substituted acetophenones useful as PDE4 inhibitors LEO PHARMA A/S (DK) 2012-12-04 US disclosed
US-8148537-B2 Substituted acetophenones useful as PDE4 inhibitors LEO PHARMA A/S (DK) 2012-04-03 US disclosed
EP-2125736-B1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA AS (DK) 2011-03-30 EP disclosed
US-7910609-B2 Inhibitors of integrin alpha2beta1 with modified urea moiety THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2011-03-22 US disclosed
US-20100035908-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA (DK) 2010-02-11 US disclosed
EP-2125736-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS Leo Pharma A/S (DK) 2009-12-02 EP disclosed
US-20090197861-A1 INHIBITORS OF INTEGRIN ALPHA2BETA1 WITH MODIFIED UREA MOIETY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-08-06 US disclosed
WO-2008077404-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA A/S (DK) 2008-07-03 WO disclosed
US-7217794-B2 Compounds and methods for treatment of thrombosis DAIAMED, INC. (US) 2007-05-15 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-20100035908-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS PDE4A, PDE4B, PDE3B KMT2A 3607/4885METAP2 3822/4885HDAC1 368/4885
US-20160340316-A1 RING-CONTRACTED MORPHINANS AND THE USE THEREOF OPRM1, OPRL1, OPRK1 KMT2A 2784/4885METAP2 3937/4885HDAC1 1424/4885
US-20130012716-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS PDE4A, PDE3B, PDE5A KMT2A 3570/4885METAP2 3694/4885HDAC1 374/4885
US-20090197861-A1 INHIBITORS OF INTEGRIN ALPHA2BETA1 WITH MODIFIED UREA MOIETY ITGA2B, ITGA2, ITGB2 KMT2A 3126/4885METAP2 1275/4885HDAC1 779/4885

“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.