SCHEMBL18558646

SCHEMBL18558646

CCCCN/C(=N/C(=O)c1ccc(Cl)c(F)c1)Nc1cc(-c2cc(F)cc(F)c2)n[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
HDAC6 Q9UBN7 10/20 0.35
HDAC3 O15379 9/20 0.35
HDAC1 Q13547 9/20 0.35
HDAC2 Q92769 9/20 0.35
HDAC8 Q9BY41 9/20 0.35
HDAC4 P56524 8/20 0.34
HDAC7 Q8WUI4 8/20 0.34
HDAC10 Q969S8 8/20 0.34
HDAC11 Q96DB2 8/20 0.34
HDAC9 Q9UKV0 8/20 0.34
HDAC5 Q9UQL6 8/20 0.34
NCOR2 Q9Y618 4/20 0.34
ALPL P05186 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 1/20 0.34
NAMPT P43490 1/20 0.33
THRB P10828 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 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
SCHEMBL18558105 0.86 ALPL (0.43) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL18558340 0.86 ALPL (0.37) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL18558107 0.85 HDAC6 (0.35) HDAC6ALPLCYP1A2GSK3B
SCHEMBL18558351 0.84 PTGIR (0.35) HDAC6
SCHEMBL18558645 0.83 ALPL (0.40) HDAC6ALPL
SCHEMBL18558533 0.83 ALPL (0.40) HDAC6ALPL
SCHEMBL18557711 0.81 HDAC6 (0.35) HDAC6ALPL
SCHEMBL18557716 0.80 HDAC6 (0.34) HDAC6
SCHEMBL18558405 0.79 ALPL (0.43) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL18558468 0.79 ALPL (0.38) HDAC6HDAC3HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9932313-B2 Pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2018-04-03 US disclosed
US-20170267643-A1 PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2017-09-21 US disclosed
US-9580388-B2 Pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2017-02-28 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 (1 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-20170267643-A1 PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5F1D, ATP5ME MAPT 3530/4885HDAC6 2034/4885HDAC3 3431/4885

“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.