SCHEMBL658069

SCHEMBL658069

CC(C)(C)Sc1c(Br)cccc1C=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.38
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
THRB P10828 1/20 0.37
BLM P54132 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
TRIM24 O15164 2/20 0.35
TRIM33 Q9UPN9 2/20 0.35
PRKDC P78527 1/20 0.34
ERN1 O75460 4/20 0.33
PIM1 P11309 2/20 0.33
PIM3 Q86V86 2/20 0.33
TLR2 O60603 1/20 0.33
TLR1 Q15399 1/20 0.33
TLR6 Q9Y2C9 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL8757092 0.79 ALDH1A1 (0.41) LMNAMEN1THRBBLMKMT2A
SCHEMBL30862079 0.79 ALDH1A1 (0.41) LMNAMEN1THRBBLMKMT2A
SCHEMBL660820 0.78 ALOX12 (0.45) LMNAMEN1KMT2AALDH1A1TSHR
SCHEMBL660821 0.78 ALOX12 (0.45) LMNAMEN1KMT2AALDH1A1TSHR
SCHEMBL28953827 0.77 PRKDC (0.33) LMNAALDH1A1TSHRPRKDC
SCHEMBL660309 0.76 ERN1 (0.37) LMNAPRKDCERN1
SCHEMBL30127235 0.76 PRKDC (0.33) LMNAPRKDC
SCHEMBL658741 0.74 PRKDC (0.33) LMNAPRKDC
SCHEMBL31359421 0.73 CYP2A6 (0.39) CYP2A6LMNAMEN1THRBBLM
SCHEMBL660833 0.72 ERN1 (0.33) ALDH1A1ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024129896-A1 INHIBITORS OF PROCASPASE-6 ACTIVATION AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-06-20 WO disclosed
US-10106535-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2018-10-23 US disclosed
US-20170305900-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2017-10-26 US disclosed
US-20170305900-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2017-10-26 US disclosed
US-20170305900-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2017-10-26 US disclosed
US-9617259-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-04-11 US disclosed
US-9617259-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-04-11 US disclosed
US-9617259-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-04-11 US disclosed
US-20160031876-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2016-02-04 US disclosed
US-20160031876-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2016-02-04 US disclosed
US-20160031876-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2016-02-04 US disclosed
WO-2014159218-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS CHDI FOUNDATION, INC. (US) 2014-10-02 WO disclosed
US-8378104-B2 7-aminofuropyridine derivatives OSI Pharmaceuticals, LLC (US) 2013-02-19 US disclosed
US-20120046267-A1 7-AMINOFUROPYRIDINE DERIVATIVES OSI PHARMACEUTICALS, INC. 2012-02-23 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-20160031876-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 CYP2A6 3332/4885LMNA 468/4885MEN1 3789/4885
US-20170305900-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 CYP2A6 3332/4885LMNA 468/4885MEN1 3789/4885
US-20120046267-A1 7-AMINOFUROPYRIDINE DERIVATIVES MAP3K5, STK17A, MAPKAPK5 CYP2A6 1912/4885LMNA 3566/4885MEN1 296/4885
US-10106535-B2 Histone deacetylase inhibitors and compositions and methods of use thereof HDAC1, HDAC7, HDAC5 CYP2A6 3332/4885LMNA 468/4885MEN1 3789/4885

“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.