SCHEMBL9921137

SCHEMBL9921137

O=C(/N=C(\Nc1cc(C(F)(F)F)n[nH]1)NC1CCC1)c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 4/20 0.41
CDK2 P24941 4/20 0.41
CCNA1 P78396 4/20 0.41
TACR2 P21452 1/20 0.38
TACR1 P25103 1/20 0.38
RAB9A P51151 4/20 0.38
HDAC4 P56524 3/20 0.38
NPC1 O15118 3/20 0.38
EPHX1 P07099 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
IDO1 P14902 1/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 1/20 0.35
ALOX12 P18054 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 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
SCHEMBL9920699 0.92 TRPV1 (0.40) CCNA2CDK2CCNA1HDAC4SMN1; SMN2
SCHEMBL17089705 0.91 HDAC4 (0.41) CCNA2CDK2CCNA1TACR2TACR1
SCHEMBL9920911 0.90 NPC1 (0.39) CCNA2CDK2CCNA1RAB9AHDAC4
SCHEMBL9920693 0.90 TRPV1 (0.42) CCNA2CDK2CCNA1HDAC4SMN1; SMN2
SCHEMBL9920882 0.90 CNR2 (0.39) CCNA2CDK2CCNA1TACR2TACR1
SCHEMBL19362753 0.89 CCNA2 (0.39) CCNA2CDK2CCNA1RAB9AHDAC4
SCHEMBL9920822 0.89 HDAC6 (0.36) CCNA2CDK2CCNA1HDAC4ALDH1A1
SCHEMBL9920869 0.88 NPC1 (0.42) CCNA2CDK2CCNA1TACR2TACR1
SCHEMBL9920883 0.87 ALDH1A1 (0.47) ALDH1A1MAPTLMNAHTT
SCHEMBL9920885 0.87 ACKR3 (0.37) CCNA2CDK2CCNA1RAB9AHDAC4

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 6 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
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-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 CCNA2 2502/4885CDK2 1940/4885CCNA1 2299/4885

“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.