SCHEMBL18558155

SCHEMBL18558155

CC(C)(C)N/C(=N/C(=O)c1ccc(F)cc1)Nc1cc(-c2ccc(Cl)cc2)n[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
TP53 P04637 2/20 0.40
HDAC3 O15379 3/20 0.39
HDAC4 P56524 3/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC7 Q8WUI4 3/20 0.39
HDAC2 Q92769 3/20 0.39
HDAC10 Q969S8 3/20 0.39
HDAC11 Q96DB2 3/20 0.39
HDAC8 Q9BY41 3/20 0.39
HDAC6 Q9UBN7 3/20 0.39
HDAC9 Q9UKV0 3/20 0.39
HDAC5 Q9UQL6 3/20 0.39
NCOR2 Q9Y618 3/20 0.39
ALPL P05186 5/20 0.39
CA12 O43570 2/20 0.39
RPA1 P27694 1/20 0.39
PRCP P42785 3/20 0.38
ACR P10323 2/20 0.37
ADCY1 Q08828 1/20 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
SCHEMBL18557830 1.00 MAPT (0.41) MAPTTP53HDAC3HDAC4HDAC1
SCHEMBL18558487 0.96 ALPL (0.42) MAPTTP53HDAC3HDAC4HDAC1
SCHEMBL18558269 0.95 MAPT (0.45) MAPTTP53HDAC6ALPLCA12
SCHEMBL18558676 0.92 MAPT (0.40) MAPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL18558516 0.92 HDAC3 (0.39) MAPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL18558615 0.92 ALPL (0.38) MAPTALPLCA12ACR
SCHEMBL18558158 0.91 MAPT (0.41) MAPTTP53ALPLCA12ACR
SCHEMBL18558333 0.90 SNCA (0.41) MAPTHDAC6ALPLCA12ACR
SCHEMBL18558653 0.89 IDO1 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18558584 0.89 MAPT (0.44) MAPTTP53HDAC3HDAC4HDAC1

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 3530/4885TP53 306/4885HDAC3 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.