SCHEMBL18558362

SCHEMBL18558362

CC(C)CN/C(=N/C(=O)c1ccc(Cl)c(F)c1)Nc1cc(-c2ccc(Cl)cc2)n[nH]1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALPL P05186 4/20 0.43
MAPT P10636 5/20 0.39
TP53 P04637 1/20 0.39
LMNA P02545 2/20 0.39
KDR P35968 1/20 0.37
HPGD P15428 2/20 0.37
HDAC6 Q9UBN7 1/20 0.36
CA12 O43570 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX12 P18054 1/20 0.35
RAB9A P51151 1/20 0.35
KCNH2 Q12809 1/20 0.35
KDM4E B2RXH2 1/20 0.35
KCNA3 P22001 1/20 0.35
GSK3B P49841 1/20 0.35

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
SCHEMBL18558405 0.94 ALPL (0.43) ALPLLMNAHPGDHDAC6CA12
SCHEMBL19362713 0.94 ALPL (0.40) ALPLMAPTTP53LMNAHDAC6
SCHEMBL18558105 0.91 ALPL (0.43) ALPLLMNAHPGDHDAC6NPC1
SCHEMBL18558489 0.90 HDAC3 (0.42) ALPLMAPTTP53LMNAHDAC6
SCHEMBL18558311 0.90 HDAC3 (0.42) ALPLMAPTTP53LMNAHDAC6
SCHEMBL18557797 0.89 HDAC3 (0.41) ALPLMAPTTP53LMNAHDAC6
SCHEMBL18558364 0.88 KCNA3 (0.43) ALPLMAPTTP53KDRHDAC6
SCHEMBL9905203 0.86 HDAC3 (0.38) ALPLMAPTTP53LMNAHDAC6
SCHEMBL9905210 0.86 HDAC3 (0.38) ALPLMAPTTP53LMNAHDAC6
SCHEMBL9905207 0.86 HDAC3 (0.38) ALPLMAPTTP53LMNAHDAC6

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 ALPL 4028/4885MAPT 3530/4885TP53 306/4885

“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.