SCHEMBL5896838

SCHEMBL5896838

NCC(=O)Nc1ccc2oc(C(=O)Nc3ccc4[nH]c(C(=O)O)cc4c3)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 4/20 0.49
MAP4K4 O95819 1/20 0.45
NTRK1 P04629 1/20 0.45
RET P07949 1/20 0.45
CDK16 Q00536 1/20 0.45
EPHA7 Q15375 1/20 0.45
DDR2 Q16832 1/20 0.45
MAP3K20 Q9NYL2 1/20 0.45
NPC1 O15118 7/20 0.45
RAB9A P51151 6/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
MAPT P10636 3/20 0.45
HPGD P15428 2/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 2/20 0.45
ATM Q13315 1/20 0.45
TP53 P04637 3/20 0.44
PKM P14618 1/20 0.43

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
SCHEMBL5679454 0.87 FLT3 (0.45) FLT3MAP4K4NTRK1RETCDK16
SCHEMBL5679468 0.87 FLT3 (0.51) FLT3MAP4K4NTRK1RETCDK16
SCHEMBL27520204 0.87 NPC1 (0.53) FLT3MAP4K4NTRK1RETCDK16
SCHEMBL5897637 0.86 NHERF1 (0.54) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL5896618 0.86 SMAD3 (0.53) MAPTHPGDALDH1A1KMT2AKDM4E
SCHEMBL5675985 0.86 FLT3 (0.44) FLT3MAP4K4NTRK1RETCDK16
SCHEMBL5733671 0.84 RAB9A (0.62) FLT3NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL7470087 0.83 PDGFRB (0.60) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL5675864 0.82 MMP2 (0.51) FLT3MAP4K4NTRK1RETCDK16
SCHEMBL8210586 0.80 SMAD3 (0.51) NPC1RAB9ASMN1; SMN2MAPTHPGD

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 2 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 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 FLT3 826/4885MAP4K4 2417/4885NTRK1 4434/4885

“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.