SCHEMBL16645442

SCHEMBL16645442

NOc1cccc(C(N)=O)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
IRAK4 Q9NWZ3 1/20 0.46
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ERN1 O75460 1/20 0.41
HTT P42858 1/20 0.40
NR1I2 O75469 1/20 0.40
LMNA P02545 1/20 0.40
CHRM2 P08172 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADRA2A P08913 1/20 0.40
OPRK1 P41145 1/20 0.40
HTR2B P41595 1/20 0.40
SLC6A3 Q01959 1/20 0.40

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
SCHEMBL27437859 0.82 CTNNB1 (0.46) CTNNB1KDM4EMAPTALDH1A1HPGD
SCHEMBL27607011 0.82 KLKB1 (0.44) KDM4EMAPTALDH1A1HPGDTSHR
SCHEMBL1355519 0.82 ALDH1A1 (0.55) CTNNB1KDM4EMAPTALDH1A1HPGD
SCHEMBL1456962 0.81 CTNNB1 (0.62) CTNNB1KDM4EMAPTALDH1A1HPGD
SCHEMBL698742 0.80 KDM4E (0.61) CTNNB1KDM4EMAPTALDH1A1HPGD
SCHEMBL21579477 0.79 KDM4E (0.53) CTNNB1KDM4EMAPTALDH1A1HPGD
SCHEMBL424097 0.79 KDM4E (0.67) KDM4EMAPTALDH1A1HPGDTSHR
SCHEMBL29552052 0.79 KDM4E (0.67) KDM4EMAPTALDH1A1HPGDTSHR
SCHEMBL3723645 0.78 KDM4E (0.58) CTNNB1KDM4EMAPTALDH1A1HPGD
SCHEMBL2850310 0.78 CTNNB1 (0.42) CTNNB1KDM4EMAPTALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150105337-A1 ENTEROBACTIN CONJUGATES AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-04-16 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-20150105337-A1 ENTEROBACTIN CONJUGATES AND USES THEREOF BTD, VIP, SLC10A2 CTNNB1 1421/4885KDM4E 3816/4885MAPT 3311/4885

“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.