SCHEMBL823124

SCHEMBL823124

O=C(Nc1ccc(O)cc1C(=O)O)c1ccc(C(=O)Nc2ccc(O)cc2C(=O)O)cc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.84
KMT2A Q03164 6/20 0.84
MAPT P10636 5/20 0.84
TDP1 Q9NUW8 5/20 0.84
ALDH1A1 P00352 2/20 0.84
HTT P42858 1/20 0.84
LMNA P02545 1/20 0.74
RAB9A P51151 1/20 0.74
ABL1 P00519 2/20 0.68
RIN1 Q13671 2/20 0.68
TSHR P16473 1/20 0.68
SIRT6 Q8N6T7 1/20 0.66
PKM P14618 1/20 0.61
GRIK1 P39086 1/20 0.61
LTC4S Q16873 1/20 0.59
SERPINE1 P05121 3/20 0.59
AKR1C4 P17516 2/20 0.59
AKR1C3 P42330 2/20 0.59
AKR1C2 P52895 2/20 0.59
AKR1C1 Q04828 2/20 0.59

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
SCHEMBL29367215 0.98 MEN1 (0.82) MEN1KMT2AMAPTTDP1ALDH1A1
SCHEMBL2810656 0.98 MEN1 (0.82) MEN1KMT2AMAPTTDP1ALDH1A1
SCHEMBL6096421 0.93 MEN1 (0.74) MEN1KMT2AMAPTTDP1ALDH1A1
SCHEMBL20513012 0.91 MAPT (0.79) MEN1KMT2AMAPTTDP1ALDH1A1
SCHEMBL4157251 0.89 MAPT (0.69) MEN1KMT2AMAPTTDP1ALDH1A1
SCHEMBL9973844 0.89 MEN1 (0.69) MEN1KMT2AMAPTTDP1ALDH1A1
SCHEMBL6091702 0.86 MEN1 (0.78) MEN1KMT2AMAPTTDP1ALDH1A1
SCHEMBL9973842 0.86 MAPT (0.66) MEN1KMT2AMAPTTDP1ALDH1A1
SCHEMBL14075225 0.86 MEN1 (0.66) MEN1KMT2AMAPTTDP1ALDH1A1
SCHEMBL4669087 0.86 MEN1 (0.65) MEN1KMT2AMAPTTDP1ALDH1A1

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-9198891-B2 Method of treating cancer by inhibition of protein kinase-like endoplasmic reticulum protein kinase NEW YORK UNIVERSITY (US) 2015-12-01 US disclosed
US-20110288083-A1 METHOD OF TREATING CANCER BY INHIBITION OF PROTEIN KINASE-LIKE ENDOPLASMIC RETICULUM PROTEIN KINASE NEW YORK UNIVERSITY (US) 2011-11-24 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-20110288083-A1 METHOD OF TREATING CANCER BY INHIBITION OF PROTEIN KINASE-LIKE ENDOPLASMIC RETICULUM PROTEIN KINASE ERN1, ERN2, EEF2K MEN1 3488/4885KMT2A 3197/4885MAPT 2510/4885

“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.