SCHEMBL16112668

SCHEMBL16112668

COC(=O)Cc1cccc(F)c1C

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
NLRP3 Q96P20 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 2/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.39
MAPK1 P28482 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
RIPK1 Q13546 1/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
EGFR P00533 1/20 0.38
CXCL8 P10145 1/20 0.38

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
SCHEMBL909534 0.85 NLRP3 (0.50) P2RX7SMN1; SMN2KDM4ENLRP3L3MBTL1
SCHEMBL506923 0.84 SMN1; SMN2 (0.46) P2RX7SMN1; SMN2KDM4ELMNAALDH1A1
SCHEMBL661699 0.84 TAAR1 (0.51) SMN1; SMN2KDM4ELMNAL3MBTL1ALDH1A1
SCHEMBL30874634 0.84 TAAR1 (0.51) SMN1; SMN2KDM4ELMNAL3MBTL1ALDH1A1
SCHEMBL16396591 0.83 ANO1 (0.47) SMN1; SMN2KDM4ELMNAALDH1A1GLA
SCHEMBL728665 0.82 KDM4E (0.49) P2RX7SMN1; SMN2KDM4ELMNANLRP3
SCHEMBL14420088 0.82 NLRP3 (0.47) KDM4ENLRP3L3MBTL1ALDH1A1GLA
Hydrochloric Acid SCHEMBL27592315 0.82 TAAR1 (0.50) SMN1; SMN2KDM4ELMNAL3MBTL1ALDH1A1
SCHEMBL2981629 0.81 ALDH1A1 (0.50) KDM4ELMNAALDH1A1GLAHPGD
SCHEMBL9102212 0.80 P2RX7 (0.45) P2RX7SMN1; SMN2L3MBTL1ALDH1A1RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3148539-B1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION INC (US) 2021-02-17 EP disclosed
EP-3148539-B1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION INC (US) 2021-02-17 EP disclosed
US-10457675-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2019-10-29 US disclosed
US-10457675-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2019-10-29 US disclosed
US-10106535-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2018-10-23 US disclosed
US-10065948-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2018-09-04 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-9783488-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-10-10 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
EP-2968233-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2016-01-20 EP disclosed
EP-2968207-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS CHDI Foundation, Inc. (US) 2016-01-20 EP disclosed
WO-2015187542-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION INC. (US) 2015-12-10 WO disclosed
WO-2015187542-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION INC. (US) 2015-12-10 WO disclosed
WO-2014159218-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS CHDI FOUNDATION, INC. (US) 2014-10-02 WO disclosed
WO-2014159224-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2014-10-02 WO disclosed
WO-2014159218-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS CHDI FOUNDATION, INC. (US) 2014-10-02 WO disclosed
WO-2014159224-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2014-10-02 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 (5 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-10065948-B2 Histone deacetylase inhibitors and compositions and methods of use thereof HDAC1, HDAC6, HDAC5 P2RX7 4582/4885SMN1; SMN2 74/4885KDM4E 297/4885
US-20160031876-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 P2RX7 4408/4885SMN1; SMN2 3271/4885KDM4E 166/4885
US-20170305900-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 P2RX7 4408/4885SMN1; SMN2 3271/4885KDM4E 166/4885
US-10457675-B2 Histone deacetylase inhibitors and compositions and methods of use thereof HDAC1, HDAC7, HDAC2 P2RX7 4351/4885SMN1; SMN2 3000/4885KDM4E 118/4885
US-10106535-B2 Histone deacetylase inhibitors and compositions and methods of use thereof HDAC1, HDAC7, HDAC5 P2RX7 4408/4885SMN1; SMN2 3271/4885KDM4E 166/4885

“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.