SCHEMBL21467692

SCHEMBL21467692

O=C(Cc1ccc(O)cc1)NOC(=O)COc1ccccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.49
▸ POLB P06746 3/20 0.48
▸ MAPT P10636 2/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ ADAMTS5 Q9UNA0 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ NFKB2 Q00653 1/20 0.46
▸ RELA Q04206 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.45
▸ HPGD P15428 3/20 0.45
▸ RXRA P19793 1/20 0.45
▸ RXRB P28702 1/20 0.45
▸ KMT2A Q03164 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ STAT3 P40763 1/20 0.44
▸ LMNA P02545 1/20 0.44

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
SCHEMBL27374173 0.79 LMNA (0.57) RAB9AMAPTADAMTS5KDM4ENPC1
SCHEMBL21467704 0.78 TDP1 (0.67) RAB9APOLBMAPTKDM4ENPC1
SCHEMBL14906914 0.72 HDAC6 (0.57) RAB9APOLBMAPTHDAC6NPC1
SCHEMBL5000478 0.72 LMNA (0.62) RAB9APOLBMAPTKDM4ESMN1; SMN2
SCHEMBL4936220 0.70 RAB9A (0.63) RAB9APOLBMAPTHDAC6KDM4E
SCHEMBL23094207 0.70 TDP1 (0.78) RAB9APOLBMAPTKDM4ENPC1
SCHEMBL21468035 0.70 KMT2A (0.56) POLBMAPTHPGDKMT2AALDH1A1
SCHEMBL21467847 0.69 NPSR1 (0.46) POLBMAPTSMN1; SMN2NPSR1HPGD
SCHEMBL3733772 0.69 GAA (0.71) RAB9APOLBMAPTADAMTS5KDM4E
SCHEMBL1032879 0.68 KDM4E (0.61) RAB9APOLBMAPTKDM4ENPC1

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-20190315681-A1 SMALL MOLECULE FERROPTOSIS INDUCERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2019-10-17 — — 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-20190315681-A1 SMALL MOLECULE FERROPTOSIS INDUCERS GPX4, AIFM2, GPX1 RAB9A 2758/4885POLB 4418/4885MAPT 4344/4885

“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.

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