SCHEMBL21468035

SCHEMBL21468035

O=C(Cc1ccc(Cl)cc1)NOC(=O)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.56
▸ MEN1 O00255 4/20 0.56
▸ ALDH1A1 P00352 5/20 0.55
▸ HPGD P15428 2/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ CNR2 P34972 2/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ EGFR P00533 1/20 0.52
▸ ERBB2 P04626 1/20 0.52
▸ PSMB8 P28062 1/20 0.51
▸ PSMB5 P28074 1/20 0.51
▸ POLB P06746 3/20 0.50
▸ MAPT P10636 1/20 0.50
▸ LTA4H P09960 1/20 0.50
▸ EPHX2 P34913 1/20 0.50

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
SCHEMBL21467706 0.88 KMT2A (0.66) KMT2AMEN1ALDH1A1HPGDCYP1A2
SCHEMBL28478049 0.79 TSHR (0.50) KMT2AMEN1ALDH1A1HPGDL3MBTL1
SCHEMBL27337644 0.79 MEN1 (0.52) KMT2AMEN1ALDH1A1HPGDCNR2
SCHEMBL27374173 0.77 LMNA (0.57) KMT2AMEN1ALDH1A1HPGDCYP1A2
SCHEMBL8242439 0.77 TRPV1 (0.55) KMT2AMEN1ALDH1A1HPGDCNR2
SCHEMBL25372645 0.76 MEN1 (0.57) KMT2AMEN1ALDH1A1HPGDCNR2
SCHEMBL25371769 0.76 ALDH1A1 (0.53) KMT2AMEN1ALDH1A1HPGDCYP3A4
SCHEMBL8936163 0.76 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1L3MBTL1TDP1
SCHEMBL16909050 0.76 TRPV1 (0.54) KMT2AMEN1ALDH1A1HPGDCNR2
SCHEMBL7285179 0.76 ALDH1A1 (0.73) KMT2AMEN1ALDH1A1HPGDCYP1A2

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 4464/4885ALDH1A1 845/4885

“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.

Send feedback