SCHEMBL18558299

SCHEMBL18558299

CCOC[C@H](C)N/C(=N/C(=O)c1ccc(C(F)(F)F)cc1)Nc1cc(-c2ccc(Cl)cc2)[nH]n1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MAPT P10636 2/20 0.44
NR1I2 O75469 1/20 0.44
AHR P35869 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TNIK Q9UKE5 4/20 0.40
NPY5R Q15761 5/20 0.40
CSNK2A2 P19784 1/20 0.39
CSNK2A1 P68400 1/20 0.39

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
SCHEMBL18558300 0.92 NPC1 (0.46) NPC1RAB9AMAPTNR1I2AHR
SCHEMBL18558312 0.91 RAB9A (0.46) NPC1RAB9AMAPTNR1I2AHR
SCHEMBL18558191 0.91 RAB9A (0.46) NPC1RAB9AMAPTNR1I2AHR
SCHEMBL18558626 0.89 RAB9A (0.45) NPC1RAB9AMAPTNR1I2AHR
SCHEMBL18558185 0.88 RAB9A (0.42) NPC1RAB9AMAPTNR1I2AHR
SCHEMBL18558193 0.86 RAB9A (0.50) NPC1RAB9AMAPTNR1I2AHR
SCHEMBL18558492 0.83 RAB9A (0.46) NPC1RAB9AMAPTNR1I2AHR
SCHEMBL18558192 0.83 RAB9A (0.46) NPC1RAB9AMAPTNR1I2AHR
SCHEMBL18558194 0.82 RAB9A (0.47) NPC1RAB9AMAPTNR1I2AHR
SCHEMBL18558397 0.82 RAB9A (0.44) NPC1RAB9AMAPTNR1I2AHR

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 NPC1 1877/4885RAB9A 519/4885MAPT 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.