SCHEMBL4578766

SCHEMBL4578766

NC(=O)c1ccc(-n2ncc(C(=O)O)c2O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 1/20 0.49
USP7 Q93009 1/20 0.48
MAPK14 Q16539 3/20 0.47
MAPK11 Q15759 1/20 0.47
MAPKAPK2 P49137 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
XDH P47989 2/20 0.43
NPC1 O15118 1/20 0.43
HSP90AA1 P07900 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NR4A3 Q92570 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
ALDH1A1 P00352 2/20 0.42

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
SCHEMBL15167781 0.83 MAPK1 (0.55) RIPK2USP7MAPK14MAPK11MAPKAPK2
SCHEMBL10998196 0.82 POLB (0.61) RIPK2MAPK14SMN1; SMN2NPC1RAB9A
SCHEMBL2872595 0.81 PTPN1 (0.50) SMN1; SMN2NPC1RAB9AL3MBTL1NR4A3
SCHEMBL4580685 0.79 ALDH1A1 (0.65) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL27692438 0.71 HSD11B1 (0.62) SMN1; SMN2XDHNPC1HSP90AA1NFKB1
SCHEMBL27496860 0.71 MEN1 (0.53) SMN1; SMN2XDHNPC1HSP90AA1NFKB1
SCHEMBL10340610 0.71 RIPK2 (0.64) RIPK2MAPK14MAPK11SMN1; SMN2NPC1
SCHEMBL10624292 0.71 MAPK14 (0.53) RIPK2MAPK14SMN1; SMN2L3MBTL1NR4A3
SCHEMBL10340579 0.71 RAB9A (0.50) RIPK2SMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL10340641 0.71 PTPN1 (0.50) RIPK2SMN1; SMN2NPC1RAB9AL3MBTL1

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-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 US claimed
WO-2008024978-A2 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO claimed
EP-2669274-B1 TOPICAL ANTIFUNGAL AGENT MEIJI SEIKA PHARMA CO LTD (JP) 2015-11-18 EP disclosed
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 US disclosed
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 US disclosed
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 US disclosed
WO-2008024978-A2 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2008-02-28 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-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives MKI67, CCNB1, RB1 RIPK2 2968/4885USP7 3498/4885MAPK14 3162/4885

“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.