SCHEMBL21467730

SCHEMBL21467730

CCC(=O)ONC(=O)COc1ccc(Cl)cc1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.61
▸ TDP1 Q9NUW8 3/20 0.58
▸ TSHR P16473 3/20 0.58
▸ MEN1 O00255 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ CYP1A2 P05177 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ LMNA P02545 2/20 0.55
▸ HPGD P15428 4/20 0.54
▸ MAPT P10636 3/20 0.54
▸ NPC1 O15118 2/20 0.54
▸ TP53 P04637 2/20 0.54
▸ PKM P14618 2/20 0.54
▸ MAPK1 P28482 2/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ RECQL P46063 1/20 0.53

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
SCHEMBL27374817 0.83 SMN1; SMN2 (0.68) SMN1; SMN2TDP1TSHRMEN1KMT2A
SCHEMBL27374345 0.81 TDP1 (0.62) SMN1; SMN2TDP1TSHRMEN1KMT2A
SCHEMBL27374367 0.81 TDP1 (0.61) SMN1; SMN2TDP1TSHRMEN1KMT2A
SCHEMBL24112746 0.80 TDP1 (0.72) SMN1; SMN2TDP1TSHRMEN1KMT2A
SCHEMBL4211676 0.80 SMN1; SMN2 (0.67) SMN1; SMN2TDP1TSHRMEN1KMT2A
SCHEMBL27374826 0.80 SMN1; SMN2 (0.71) SMN1; SMN2TDP1TSHRMEN1KMT2A
2,4-Dichlorophenoxyacetic Acid, Methyl Ester SCHEMBL5004223 0.78 MAPT (0.70) SMN1; SMN2TDP1TSHRMEN1KMT2A
SCHEMBL8291109 0.78 SMN1; SMN2 (0.68) SMN1; SMN2TDP1TSHRMEN1KMT2A
SCHEMBL27374823 0.77 SMN1; SMN2 (0.67) SMN1; SMN2TDP1TSHRMEN1KMT2A
SCHEMBL23094218 0.77 TDP1 (0.58) SMN1; SMN2TDP1TSHRNPSR1L3MBTL1

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 SMN1; SMN2 4526/4885TDP1 4664/4885TSHR 2105/4885

“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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