SCHEMBL6835826

SCHEMBL6835826

N#Cc1ccc(NC(=O)c2cc3cc(OCc4ccccc4)ccc3[nH]2)c(C(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.61
ALDH1A1 P00352 2/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2C9 P11712 1/20 0.61
HPGD P15428 1/20 0.61
SRD5A2 P31213 1/20 0.61
HSD17B10 Q99714 1/20 0.61
PDGFRB P09619 1/20 0.55
PDGFRA P16234 1/20 0.55
HDAC1 Q13547 2/20 0.51
HDAC2 Q92769 1/20 0.51
FLT3 P36888 1/20 0.50
NHERF1 O14745 1/20 0.49
CFD P00746 1/20 0.48
MAPT P10636 2/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44

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
SCHEMBL6834270 0.93 FLT3 (0.50) KDM4EALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL6833112 0.85 KDM4E (0.57) KDM4EALDH1A1CYP1A2CYP2C9PDGFRB
SCHEMBL6710369 0.83 KDM4E (0.49) KDM4EALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL6834022 0.83 NPC1 (0.55) NHERF1NPC1RAB9A
SCHEMBL6709042 0.83 KDM4E (0.48) KDM4EALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL6834112 0.81 PPIA (0.44) SRD5A2MAPT
SCHEMBL6349884 0.80 SMPD1 (0.61) ALDH1A1SRD5A2HDAC1RAB9A
SCHEMBL4476752 0.79 KDM4E (0.59) KDM4EALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL6834125 0.78 PYGL (0.55) HDAC1
SCHEMBL6830711 0.77 MEN1 (0.56) KDM4EALDH1A1MAPT

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-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US claimed
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 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-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 KDM4E 1240/4885ALDH1A1 170/4885CYP1A2 710/4885

“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.