SCHEMBL13875905

SCHEMBL13875905

CC(C)(C)NCc1ccccc1OC(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.51
▸ HDAC3 O15379 1/20 0.49
▸ HDAC1 Q13547 1/20 0.49
▸ HDAC2 Q92769 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ MEN1 O00255 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ VNN1 O95497 1/20 0.43
▸ TACR1 P25103 1/20 0.43
▸ EPHX2 P34913 3/20 0.43
▸ PPARG P37231 2/20 0.43
▸ KCNN3 Q9UGI6 1/20 0.41
▸ NTRK1 P04629 2/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2J2 P51589 1/20 0.41
▸ QPCT Q16769 1/20 0.41
▸ SLC6A3 Q01959 3/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41

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
SCHEMBL22957643 0.85 HTT (0.48) HTTHDAC3HDAC1HDAC2HDAC6
SCHEMBL3130662 0.82 MCL1 (0.53) HDAC3HDAC1HDAC2HDAC6PKM
SCHEMBL22957892 0.81 HTT (0.54) HTTMEN1PKMKMT2ASLC6A2
SCHEMBL22957856 0.80 HDAC3 (0.49) HTTHDAC3HDAC1HDAC2HDAC6
SCHEMBL12201562 0.80 ALDH1A1 (0.59) HTTCYP2D6CYP3A4
SCHEMBL29808598 0.79 GAA (0.54) HDAC3HDAC1HDAC2HDAC6TACR1
SCHEMBL16797883 0.79 HDAC3 (0.46) HDAC3HDAC1HDAC2HDAC6TACR1
SCHEMBL24710168 0.79 MAPT (0.58) HTTHDAC3HDAC1HDAC2HDAC6
SCHEMBL10245660 0.79 HTT (0.57) HTTMEN1PKMKMT2ACYP2D6
SCHEMBL22957783 0.78 HTT (0.50) HTTMEN1PKMKMT2ATACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9914740-B2 Tricyclic pyrido-carboxamide derivatives as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-13 — — US disclosed
US-9914740-B2 Tricyclic pyrido-carboxamide derivatives as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-13 — — US disclosed
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2017-02-09 — — US disclosed
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2017-02-09 — — US disclosed
US-20160152628-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-06-02 — — US disclosed
US-9301951-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2016-04-05 — — US disclosed
US-20150164876-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2015-06-18 — — US disclosed
US-8916569-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2014-12-23 — — US disclosed
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2014-01-23 — — US disclosed
US-20090099184-A1 Substituted pyridineamide compounds useful as soluble epoxide hydrolase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-16 — — 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 (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-20160152628-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 HTT 4140/4885HDAC3 408/4885HDAC1 371/4885
US-20150164876-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 HTT 4453/4885HDAC3 2951/4885HDAC1 2715/4885
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 HTT 4453/4885HDAC3 2951/4885HDAC1 2715/4885
US-20090099184-A1 Substituted pyridineamide compounds useful as soluble epoxide hydrolase inhibitors EPHX1, EPHX2, NCEH1 HTT 4855/4885HDAC3 2760/4885HDAC1 1984/4885
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A3 HTT 3826/4885HDAC3 3108/4885HDAC1 3309/4885

“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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