SCHEMBL16111990

SCHEMBL16111990

OC(c1ccc(Br)cc1)c1ccccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 1/20 0.42
▸ CES2 O00748 1/20 0.41
▸ CES1 P23141 1/20 0.41
▸ BRD4 O60885 1/20 0.38
▸ HTR2A P28223 1/20 0.37
▸ HDAC4 P56524 2/20 0.37
▸ IDO1 P14902 1/20 0.37
▸ TDO2 P48775 1/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ SLC6A2 P23975 5/20 0.36
▸ SLC6A4 P31645 5/20 0.36

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
SCHEMBL30986702 0.84 CES2 (0.43) CES2CES1BRD4HDAC4IDO1
SCHEMBL30910940 0.84 CES2 (0.43) CES2CES1BRD4HDAC4IDO1
SCHEMBL6566037 0.84 CES2 (0.43) CES2CES1BRD4HDAC4IDO1
SCHEMBL3858520 0.84 IDO1 (0.50) CES2CES1BRD4IDO1TDO2
SCHEMBL477718 0.84 IDO1 (0.50) CES2CES1BRD4IDO1TDO2
SCHEMBL30986701 0.84 IDO1 (0.50) CES2CES1BRD4IDO1TDO2
SCHEMBL30910884 0.84 IDO1 (0.50) CES2CES1BRD4IDO1TDO2
SCHEMBL8593033 0.83 BRD4 (0.43) IGF1RCES2CES1BRD4HDAC4
SCHEMBL6564634 0.81 CNR2 (0.45) CES2CES1BRD4IDO1TDO2
SCHEMBL27589337 0.80 IDO1 (0.40) CES2CES1BRD4HDAC4IDO1

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
EP-2968232-B1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION INC (US) 2018-12-05 — — EP disclosed
US-10105363-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2018-10-23 — — US disclosed
US-20170224684-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2017-08-10 — — US disclosed
US-20170224684-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2017-08-10 — — US disclosed
US-20170224684-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2017-08-10 — — US disclosed
US-9562021-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-02-07 — — US disclosed
US-9562021-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-02-07 — — US disclosed
US-9562021-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-02-07 — — US disclosed
US-20160024019-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2016-01-28 — — US disclosed
US-20160024019-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2016-01-28 — — US disclosed
US-20160024019-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2016-01-28 — — US disclosed
EP-2968232-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2016-01-20 — — EP disclosed
WO-2014159210-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2014-10-02 — — WO disclosed
WO-2014159210-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 (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-10105363-B2 Histone deacetylase inhibitors and compositions and methods of use thereof HDAC1, HDAC7, HDAC5 IGF1R 4256/4885CES2 471/4885CES1 369/4885
US-20160024019-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 IGF1R 4256/4885CES2 471/4885CES1 369/4885
US-20170224684-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 IGF1R 4256/4885CES2 471/4885CES1 369/4885

“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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