SCHEMBL9920875

SCHEMBL9920875

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPT P10636 3/20 0.34
RHOC P08134 5/20 0.34
RHOA P61586 5/20 0.34
KCNJ11 Q14654 2/20 0.34
ORAI1 Q96D31 2/20 0.33
CHEK1 O14757 1/20 0.33
IDO1 P14902 1/20 0.33
NPC1 O15118 2/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
STIM1 Q13586 1/20 0.32
DDR1 Q08345 1/20 0.32
NR1I2 O75469 1/20 0.32
AHR P35869 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL9921105 0.92 HDAC6 (0.37) MAPTKCNJ11CHEK1LMNAHDAC6
SCHEMBL9920876 0.90 LMNA (0.33) MAPTCHEK1MEN1LMNAPOLB
SCHEMBL9920877 0.86 MEN1 (0.36) RAB9ACYP1A2CYP2D6CYP2C19MAPT
SCHEMBL17509141 0.86 MEN1 (0.36) RAB9ACYP1A2CYP2D6CYP2C19MAPT
SCHEMBL9921121 0.83 IDO1 (0.38) RAB9ACYP1A2CYP2D6CYP2C19MAPT
SCHEMBL19360246 0.83 STK25 (0.39) RAB9ACYP1A2CYP2D6CYP2C19MAPT
SCHEMBL9905331 0.82 HPGD (0.35) RAB9ACYP1A2CYP2D6CYP2C19MAPT
SCHEMBL9905335 0.82 HPGD (0.35) RAB9ACYP1A2CYP2D6CYP2C19MAPT
SCHEMBL17088583 0.82 EPHX2 (0.46) KMT2AHDAC6
SCHEMBL18558418 0.82 HDAC6 (0.37) MAPTCHEK1LMNAPOLBHDAC6

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 10 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-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-20170267643-A1 PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2017-09-21 US disclosed
EP-2648511-B1 PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORP (US) 2017-06-28 EP disclosed
US-9580388-B2 Pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2017-02-28 US disclosed
US-9580388-B2 Pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2017-02-28 US disclosed
US-9139532-B2 Pyrazolyl guanidine F1F0-atpase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2015-09-22 US disclosed
US-9139532-B2 Pyrazolyl guanidine F1F0-atpase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2015-09-22 US disclosed
WO-2012078874-A1 PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORPORATION (US) 2012-06-14 WO 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 519/4885CYP1A2 1569/4885CYP2D6 1861/4885

“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.