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Sugi Predict / Compounds / SCHEMBL9939774

SCHEMBL9939774

SCHEMBL9939774

CCS(=O)(=O)Nc1cccc(N/C(=N\C(=O)c2ccc(Cl)cc2)Nc2cc(F)cc(Cl)c2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.40
▸ CTPS1 P17812 2/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ GRM5 P41594 3/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ SLC6A9 P48067 1/20 0.34
▸ MAP3K5 Q99683 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ GBA1 P04062 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ PSD A5PKW4 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL9939541 0.90 CYP2D6 (0.38) RXFP1CTPS1CYP2D6MEN1KMT2A
SCHEMBL9939469 0.87 CNR1 (0.44) RXFP1CYP2D6MEN1KMT2AGRM5
SCHEMBL9939753 0.84 RXFP1 (0.37) RXFP1CYP2D6MEN1KMT2ACNR1
SCHEMBL9939492 0.83 CYP2D6 (0.40) RXFP1CYP2D6MEN1KMT2AALDH1A1
SCHEMBL9938594 0.83 NAMPT (0.41) RXFP1MEN1KMT2ALMNAMAPT
SCHEMBL16621986 0.82 SLC22A12 (0.39) RXFP1GRM5
SCHEMBL9939770 0.80 RXFP1 (0.38) RXFP1GRM5
SCHEMBL9939768 0.79 RXFP1 (0.43) RXFP1CTPS1GRM5NPC1ALDH1A1
SCHEMBL17279294 0.78 RXFP1 (0.34) RXFP1CTPS1CYP2D6MEN1KMT2A
SCHEMBL16865707 0.77 NPC1 (0.47) CYP2D6MEN1KMT2ANPC1ALDH1A1

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 3462/4885CTPS1 351/4885CYP2D6 1332/4885

“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.