SCHEMBL5676237

SCHEMBL5676237

CN=C(N)Nc1ccc2[nH]c(C(=O)Nc3ccc4[nH]c(C(=O)O)cc4c3)cc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.52
POLB P06746 1/20 0.52
NHERF1 O14745 3/20 0.52
NPC1 O15118 4/20 0.50
RAB9A P51151 3/20 0.50
RXFP1 Q9HBX9 2/20 0.50
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PIN1 Q13526 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PYGL P06737 2/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
PRNP P04156 1/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMAD3 P84022 1/20 0.46

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
SCHEMBL5897014 0.88 TP53 (0.48) TP53POLBNHERF1NPC1RAB9A
SCHEMBL5897662 0.82 NHERF1 (0.56) TP53POLBNHERF1NPC1RAB9A
SCHEMBL8205048 0.81 NHERF1 (0.64) TP53POLBNHERF1NPC1RAB9A
SCHEMBL7533561 0.81 NPC1 (0.74) TP53POLBNHERF1NPC1RAB9A
SCHEMBL8205586 0.81 NHERF1 (0.68) TP53POLBNHERF1NPC1RAB9A
SCHEMBL10466650 0.80 SMAD3 (0.57) TP53POLBNHERF1NPC1RAB9A
SCHEMBL5896921 0.80 NHERF1 (0.49) TP53POLBNHERF1NPC1RAB9A
SCHEMBL5897637 0.80 NHERF1 (0.54) TP53POLBNHERF1NPC1RAB9A
SCHEMBL6323639 0.80 KDM4E (0.73) TP53POLBNHERF1NPC1RAB9A
SCHEMBL10466165 0.79 MAOA (0.71) TP53POLBNHERF1NPC1RAB9A

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-7141680-B2 Aromatic compounds possessing antifungal or antibacterial activity GENELABS TECHNOLOGIES, INC. 2006-11-28 US claimed
EP-1556035-A4 NOVEL AROMATIC COMPOUNDS POSSESSING ANTIFUNGAL OR ANTIBACTERIAL ACTIVITY GENELABS TECH INC (US) 2006-09-13 EP claimed
EP-1556035-A2 NOVEL AROMATIC COMPOUNDS POSSESSING ANTIFUNGAL OR ANTIBACTERIAL ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2005-07-27 EP claimed
WO-2004026264-A2 NOVEL AROMATIC COMPOUNDS POSSESSING ANTIFUNGAL OR ANTIBACTERIAL ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2004-04-01 WO claimed
US-20040063645-A1 Novel aromatic compounds possessing antifungal or antibacterial activity SMITHKLINE BEECHAM CORPORATION 2004-04-01 US claimed
US-7141680-B2 Aromatic compounds possessing antifungal or antibacterial activity GENELABS TECHNOLOGIES, INC. 2006-11-28 US disclosed
US-20040063645-A1 Novel aromatic compounds possessing antifungal or antibacterial activity SMITHKLINE BEECHAM CORPORATION 2004-04-01 US 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-20040063645-A1 Novel aromatic compounds possessing antifungal or antibacterial activity ZC3HAV1, TYR, ZC3HAV1L TP53 578/4885POLB 2022/4885NHERF1 2753/4885

“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.