SCHEMBL5896843

SCHEMBL5896843

CN(C)CCNC(=O)c1cc2ccc(NC(=O)c3cc4cc(C(=O)O)ccc4[nH]3)cc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.59
HRH3 Q9Y5N1 2/20 0.59
HRH4 Q9H3N8 1/20 0.59
NHERF1 O14745 2/20 0.52
ACKR3 P25106 1/20 0.47
SYK P43405 1/20 0.47
PLD2 O14939 1/20 0.46
PLD1 Q13393 1/20 0.46
EGFR P00533 2/20 0.46
PIK3CA P42336 2/20 0.46
NR4A1 P22736 1/20 0.45
ITGB3 P05106 6/20 0.45
ITGA2B P08514 6/20 0.45
MCHR1 Q99705 1/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
ALOX15 P16050 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
SCHEMBL5889578 0.94 HTR2C (0.61) HTR2CHRH3HRH4NHERF1ACKR3
SCHEMBL5889693 0.82 HRH4 (0.56) HTR2CHRH3HRH4ACKR3SYK
SCHEMBL5677746 0.82 ITGB3 (0.59) NHERF1ITGB3ITGA2B
SCHEMBL5896620 0.81 KDM4E (0.50) NHERF1PLD2PLD1EGFRPIK3CA
SCHEMBL5889537 0.80 KDM4E (0.51) NHERF1PLD2PLD1EGFRPIK3CA
SCHEMBL5896655 0.80 KDM4E (0.51) NHERF1PLD2PLD1EGFRPIK3CA
SCHEMBL5889476 0.78 KDM4E (0.61) NHERF1ITGB3ITGA2BALOX15
SCHEMBL8205586 0.78 NHERF1 (0.68) HRH3NHERF1PLD2PLD1EGFR
SCHEMBL5889592 0.78 ITGB3 (0.50) NHERF1PLD2PLD1EGFRPIK3CA
SCHEMBL5889645 0.78 KDM4E (0.46) NHERF1PLD2PLD1EGFRPIK3CA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HTR2C 4212/4885HRH3 1724/4885HRH4 1972/4885

“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.