SCHEMBL4165040

SCHEMBL4165040

NC(=O)c1ccc(Cc2ccc3c(c2)OCO3)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
LMNA P02545 3/20 0.52
MAPT P10636 4/20 0.50
ALDH1A1 P00352 7/20 0.48
CYP3A4 P08684 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 1/20 0.48
MAPK8 P45983 1/20 0.47
HPGD P15428 5/20 0.47
MEN1 O00255 2/20 0.47
GAA P10253 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
HSD17B10 Q99714 1/20 0.46
TAAR1 Q96RJ0 1/20 0.45
TSHR P16473 1/20 0.45
SLC6A4 P31645 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.43
NFKB1 P19838 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
SCHEMBL108235 0.82 TAAR1 (0.55) MAPTALDH1A1CYP3A4CYP1A2CYP2C19
SCHEMBL5459105 0.78 TAAR1 (0.56) MAPTALDH1A1CYP3A4CYP1A2HSD17B10
SCHEMBL7391673 0.73 NPC1 (0.52) KDM4ELMNAMAPTALDH1A1CYP3A4
SCHEMBL109195 0.73 TAAR1 (0.64) MAPTALDH1A1CYP3A4CYP1A2CYP2C19
SCHEMBL1395778 0.72 CYP3A4 (0.68) LMNAALDH1A1CYP3A4CYP1A2CYP2C19
SCHEMBL4158801 0.72 ALOX5 (0.51) KDM4ELMNAMAPTALDH1A1HPGD
SCHEMBL24573223 0.72 PLA2G10 (0.46) LMNAMAPTALDH1A1HPGDTSHR
SCHEMBL4159536 0.71 MAOB (0.45) MAPK8TAAR1RAB9A
SCHEMBL4156358 0.71 HTT (0.49) KDM4ELMNAMAPTALDH1A1CYP3A4
SCHEMBL3722805 0.71 CYP3A4 (0.52) LMNAMAPTALDH1A1CYP3A4CYP1A2

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-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-09-10 US disclosed
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
EP-1782811-A1 NOVEL ANTIMALARIA AGENT CONTAINING HETEROCYCLIC COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-05-09 EP disclosed
EP-1669348-A1 NOVEL ANTIFUNGAL AGENT COMPRISING HETEROCYCLIC COMPOUND Eisai Co., Ltd. (JP) 2006-06-14 EP 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 (2 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-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound XPO1, THPO, G6PD KDM4E 3022/4885LMNA 698/4885MAPT 4227/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 KDM4E 3245/4885LMNA 2208/4885MAPT 4111/4885

“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.