SCHEMBL20180914

SCHEMBL20180914

OCN(CCN(CO)Cc1ccccc1O)Cc1ccccc1O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 1/20 0.48
HTR1A P08908 1/20 0.47
TSHR P16473 2/20 0.43
CYP2D6 P10635 1/20 0.43
HIF1A Q16665 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
AKR1B1 P15121 1/20 0.42
IDO1 P14902 2/20 0.41
CA12 O43570 2/20 0.41
CA2 P00918 2/20 0.41
PRKCI P41743 1/20 0.40
CA9 Q16790 1/20 0.39
MPO P05164 1/20 0.39
KEAP1 Q14145 1/20 0.39
MEP1B Q16820 1/20 0.39
MEN1 O00255 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL18197359 0.91 TSHR (0.53) HSPA5HTR1ATSHRCYP2D6PRKCI
SCHEMBL20175943 0.89 MAPT (0.47) HSPA5HTR1ATSHRPRKCIKEAP1
SCHEMBL9395374 0.89 HSPA5 (0.54) HSPA5HTR1ATSHRCYP2D6HIF1A
SCHEMBL15283002 0.84 HSPA5 (0.59) HSPA5HTR1ATSHRCYP2D6HIF1A
SCHEMBL20175939 0.84 MAPT (0.47) HSPA5HTR1APRKCIMEN1KMT2A
SCHEMBL30589673 0.83 SMN1; SMN2 (0.49) HSPA5HTR1ATSHRCYP2D6HIF1A
SCHEMBL20175942 0.82 TSHR (0.59) HSPA5HTR1ATSHRCYP2D6PRKCI
SCHEMBL453848 0.81 AKR1B1 (0.55) HSPA5HTR1ATSHRCYP2D6HIF1A
SCHEMBL8966423 0.81 AKR1B1 (0.55) HSPA5HTR1ATSHRCYP2D6HIF1A
SCHEMBL29393657 0.81 AKR1B1 (0.55) HSPA5HTR1ATSHRCYP2D6HIF1A

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-10570104-B2 Metabolically programmed metal chelators and uses thereof UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2020-02-25 US disclosed
US-20180140581-A1 METABOLICALLY PROGRAMMED METAL CHELATORS AND USES THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2018-05-24 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 (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-10570104-B2 Metabolically programmed metal chelators and uses thereof FECH, SLC19A1, SLC40A1 HSPA5 1233/4885HTR1A 1408/4885TSHR 1059/4885
US-20180140581-A1 METABOLICALLY PROGRAMMED METAL CHELATORS AND USES THEREOF FECH, SLC19A1, SLC40A1 HSPA5 1233/4885HTR1A 1408/4885TSHR 1059/4885

“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.