SCHEMBL412107

SCHEMBL412107

NCc1noc(C(F)(F)F)n1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 15/20 0.36
HDAC4 P56524 11/20 0.36
MIF P14174 2/20 0.35
HDAC1 Q13547 7/20 0.34
HDAC8 Q9BY41 5/20 0.34
HDAC5 Q9UQL6 2/20 0.34

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
Hydrochloric Acid SCHEMBL439920 0.98 HDAC6 (0.35) HDAC6HDAC4MIFHDAC1HDAC8
SCHEMBL13189194 0.85 MIF (0.35) HDAC6HDAC4MIFHDAC1HDAC8
Hydrochloric Acid SCHEMBL3713070 0.84 MIF (0.34) HDAC6HDAC4MIFHDAC1HDAC8
SCHEMBL21824501 0.80 HDAC6 (0.43) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL8233965 0.80 HDAC4 (0.39) HDAC6HDAC4MIFHDAC1HDAC8
SCHEMBL2308502 0.80 MIF (0.34) HDAC6HDAC4MIFHDAC1HDAC8
SCHEMBL21634141 0.80 HDAC6 (0.34) HDAC6HDAC4MIFHDAC1HDAC8
SCHEMBL8761464 0.80 MIF (0.34) HDAC6HDAC4MIFHDAC1HDAC8
SCHEMBL989859 0.78 HDAC6 (0.34) HDAC6HDAC4MIFHDAC1HDAC8
SCHEMBL20365263 0.77 AOC3 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11737463-B2 Pyridine and pyrazine compounds BASF SE (DE) 2023-08-29 US disclosed
WO-2022164239-A1 PYRAZOLE-CARBOXAMIDE DERIVATIVE COMPOUND AND USE THEREOF 주식회사 파미노젠 2022-08-04 WO disclosed
US-20210145002-A1 PYRIDINE AND PYRAZINE COMPOUNDS BASF SE (DE) 2021-05-20 US disclosed
US-20200354321-A1 NEW PYRIDINE CARBOXAMIDES BASF SE (DE) 2020-11-12 US disclosed
US-10696634-B2 Pyridine compounds as fungicides BASF SE (DE) 2020-06-30 US disclosed
US-20200187500-A1 PYRIDINE COMPOUNDS BASF SE (DE) 2020-06-18 US disclosed
EP-2613785-B1 HETEROARYLMETHYL AMIDES HOFFMANN LA ROCHE (CH) 2015-07-29 EP disclosed
US-9090599-B2 Heteroarylmethyl amides HOFFMANN-LA ROCHE INC. (US) 2015-07-28 US disclosed
US-9090599-B2 Heteroarylmethyl amides HOFFMANN-LA ROCHE INC. (US) 2015-07-28 US disclosed
US-20140194436-A1 HETEROARYLMETHYL AMIDES HOFFMANN-LA ROCHE INC. (US) 2014-07-10 US disclosed
US-20140194436-A1 HETEROARYLMETHYL AMIDES HOFFMANN-LA ROCHE INC. (US) 2014-07-10 US disclosed
US-8729105-B2 Heteroarylmethyl amides HOFFMANN LA-ROCHE INC. (US) 2014-05-20 US disclosed
US-8729105-B2 Heteroarylmethyl amides HOFFMANN LA-ROCHE INC. (US) 2014-05-20 US disclosed
US-20120065212-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 US disclosed
US-20120065212-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 US disclosed
WO-2012032018-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 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 (7 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-20140194436-A1 HETEROARYLMETHYL AMIDES APOB, LDLR, HMGCR HDAC6 936/4885HDAC4 1414/4885MIF 4292/4885
US-11737463-B2 Pyridine and pyrazine compounds NDUFS5, IL5, NDUFS4 HDAC6 2170/4885HDAC4 2046/4885MIF 3156/4885
US-20210145002-A1 PYRIDINE AND PYRAZINE COMPOUNDS NDUFS5, IL5, NDUFS4 HDAC6 2170/4885HDAC4 2046/4885MIF 3156/4885
US-20200354321-A1 NEW PYRIDINE CARBOXAMIDES COX4I1, NQO2, NDUFS5 HDAC6 399/4885HDAC4 582/4885MIF 4367/4885
US-10696634-B2 Pyridine compounds as fungicides CYP4X1, CYP1A1, CYP4B1 HDAC6 1525/4885HDAC4 1201/4885MIF 3087/4885
US-20200187500-A1 PYRIDINE COMPOUNDS NQO1, NDUFS5, NDUFS4 HDAC6 2209/4885HDAC4 2649/4885MIF 3626/4885
US-20120065212-A1 HETEROARYLMETHYL AMIDES APOB, LDLR, HMGCR HDAC6 936/4885HDAC4 1414/4885MIF 4292/4885

“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.