SCHEMBL5897014

SCHEMBL5897014

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.48
POLB P06746 1/20 0.48
NPC1 O15118 5/20 0.47
RAB9A P51151 4/20 0.47
RXFP1 Q9HBX9 3/20 0.47
NHERF1 O14745 3/20 0.46
PIN1 Q13526 1/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
PYGL P06737 3/20 0.43
KDM4E B2RXH2 2/20 0.42
MAPT P10636 1/20 0.42
PRMT1 Q99873 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HDAC2 Q92769 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.41
PRNP P04156 1/20 0.41

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
SCHEMBL5676237 0.88 TP53 (0.52) TP53POLBNPC1RAB9ARXFP1
SCHEMBL5896946 0.86 NHERF1 (0.48) TP53POLBNPC1RAB9ARXFP1
SCHEMBL5896992 0.82 TP53 (0.49) TP53POLBNPC1RAB9ARXFP1
SCHEMBL5897637 0.81 NHERF1 (0.54) TP53POLBNPC1RAB9ARXFP1
SCHEMBL5896921 0.81 NHERF1 (0.49) TP53POLBNPC1RAB9ARXFP1
SCHEMBL5676002 0.79 HDAC2 (0.47) TP53POLBNPC1RAB9ARXFP1
SCHEMBL8196470 0.77 SMAD3 (0.57) TP53POLBNPC1RAB9ANHERF1
SCHEMBL5897662 0.76 NHERF1 (0.56) TP53POLBNPC1RAB9ARXFP1
SCHEMBL5896618 0.76 SMAD3 (0.53) TP53POLBNHERF1PIN1MAOA
SCHEMBL6512022 0.76 MMP13 (0.55) TP53POLBRAB9ANHERF1PIN1

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 4 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
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 2022/4885NPC1 444/4885

“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.