SCHEMBL18558474

SCHEMBL18558474

COC[C@H](C)N/C(=N/C(=O)c1ccc(Cl)cc1)Nc1cc(-c2cc(F)cc(F)c2)[nH]n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
MAPT P10636 2/20 0.43
NR1I2 O75469 1/20 0.43
AHR P35869 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPY5R Q15761 4/20 0.39
CSNK2A2 P19784 1/20 0.38
CSNK2A1 P68400 1/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 1/20 0.37
LMNA P02545 2/20 0.37
TNIK Q9UKE5 1/20 0.37
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 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
SCHEMBL18558500 0.94 RAB9A (0.45) RAB9ACSNK2A2CSNK2A1KMT2ALMNA
SCHEMBL18558194 0.93 RAB9A (0.47) RAB9ANPC1MAPTNR1I2AHR
SCHEMBL18558185 0.91 RAB9A (0.42) RAB9ANPC1MAPTNR1I2AHR
SCHEMBL19362791 0.91 RAB9A (0.39) RAB9ANPC1MAPTNR1I2AHR
SCHEMBL18558438 0.91 RAB9A (0.37) RAB9ANPC1MAPTNR1I2AHR
SCHEMBL19362685 0.90 RAB9A (0.45) RAB9ANPC1MAPTNR1I2AHR
SCHEMBL18558298 0.90 RAB9A (0.48) RAB9ANPC1MAPTNR1I2AHR
SCHEMBL18558416 0.90 RAB9A (0.37) RAB9ANPC1MAPTNR1I2AHR
SCHEMBL19362794 0.89 RAB9A (0.47) RAB9ANPC1MAPTNR1I2AHR
SCHEMBL18558240 0.88 RAB9A (0.52) RAB9ANPC1NR1I2AHRSMN1; SMN2

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 RAB9A 519/4885NPC1 1877/4885MAPT 3530/4885

“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.