SCHEMBL21467706

SCHEMBL21467706

O=C(Cc1ccc(Cl)cc1)NOC(=O)CCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.66
▸ MEN1 O00255 1/20 0.66
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ HTT P42858 1/20 0.53
▸ LTA4H P09960 1/20 0.52
▸ EPHX2 P34913 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.51
▸ PLAAT3 P53816 3/20 0.50
▸ PLAAT5 Q96KN8 3/20 0.50
▸ PLAAT2 Q9NWW9 3/20 0.50
▸ PLAAT4 Q9UL19 3/20 0.50
▸ HPGD P15428 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ CNR2 P34972 1/20 0.49
▸ USP2 O75604 1/20 0.48
▸ EGFR P00533 1/20 0.48

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
SCHEMBL21468035 0.88 KMT2A (0.56) KMT2AMEN1L3MBTL1LTA4HEPHX2
SCHEMBL16909176 0.82 GAA (0.55) L3MBTL1ALDH1A1HPGDHDAC3HDAC1
SCHEMBL16908977 0.81 MAPT (0.51) ALDH1A1HPGDHDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL16909041 0.81 GAA (0.54) L3MBTL1ALDH1A1HPGDHDAC3HDAC1
SCHEMBL16909205 0.80 TRPV1 (0.50) ALDH1A1HPGDHDAC3HDAC1HDAC2
SCHEMBL16909222 0.80 TRPV1 (0.50) KMT2AMEN1ALDH1A1HPGDHDAC1
SCHEMBL15444485 0.79 TBXAS1 (0.53) KMT2AALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL16909096 0.78 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1HPGDCNR2
Hydrochloric Acid SCHEMBL16909079 0.78 TRPV1 (0.49) ALDH1A1HPGDHDAC3HDAC1HDAC2
SCHEMBL8242439 0.78 TRPV1 (0.55) KMT2AMEN1ALDH1A1HPGDCNR2

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 KMT2A 2922/4885MEN1 4464/4885L3MBTL1 2077/4885

“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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