Sugi Predict

Sugi Predict / Compounds / SCHEMBL9939768

SCHEMBL9939768

SCHEMBL9939768

CCS(=O)(=O)Nc1cccc(N/C(=N\C(=O)c2ccc(Cl)cc2)NCC(C)(C)C)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.43
▸ HSD11B1 P28845 1/20 0.34
▸ GRM5 P41594 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ ADORA3 P0DMS8 2/20 0.34
▸ LMNA P02545 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ GBA1 P04062 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAP3K5 Q99683 1/20 0.33
▸ CTPS1 P17812 1/20 0.32
▸ TRPV1 Q8NER1 1/20 0.32
▸ CNR1 P21554 2/20 0.32
▸ EPHX2 P34913 1/20 0.32
▸ NR1H4 Q96RI1 1/20 0.32
▸ HTR1F P30939 1/20 0.32
▸ CHRNB2 P17787 1/20 0.32
▸ CHRNA4 P43681 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
SCHEMBL16621982 0.91 RXFP1 (0.40) RXFP1HSD11B1GRM5L3MBTL1GBA1
SCHEMBL9939767 0.88 HSD11B1 (0.43) RXFP1HSD11B1L3MBTL1LMNAHPGD
SCHEMBL9939557 0.87 RXFP1 (0.47) RXFP1GRM5ADORA3LMNAGBA1
SCHEMBL9939437 0.86 RXFP1 (0.39) RXFP1HSD11B1L3MBTL1LMNA
SCHEMBL16621984 0.86 RXFP1 (0.46) RXFP1GRM5LMNAGBA1RAB9A
SCHEMBL16621985 0.84 FBP1 (0.38) RXFP1HSD11B1GRM5L3MBTL1LMNA
SCHEMBL16621987 0.84 NAMPT (0.42) RXFP1HSD11B1L3MBTL1LMNACTPS1
SCHEMBL16621981 0.83 RXFP1 (0.42) RXFP1HSD11B1GRM5L3MBTL1CNR1
SCHEMBL9939755 0.82 SCN9A (0.41) RXFP1HSD11B1L3MBTL1LMNAALDH1A1
SCHEMBL9939770 0.82 RXFP1 (0.38) RXFP1GRM5TRPV1EPHX2NR1H4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9370507-B2 Pyridonyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2016-06-21 — — US disclosed
US-9370507-B2 Pyridonyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2016-06-21 — — US disclosed
US-20150335625-A1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2015-11-26 — — US disclosed
US-20150335625-A1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2015-11-26 — — US disclosed
US-9000014-B2 Pyridonyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2015-04-07 — — US disclosed
US-9000014-B2 Pyridonyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2015-04-07 — — US disclosed
WO-2012078869-A1 PYRIDONYL 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-20150335625-A1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1B RXFP1 3462/4885HSD11B1 4602/4885GRM5 961/4885

“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.