SCHEMBL9926561

SCHEMBL9926561

COc1ccc(CNC(=O)Cc2ccc(Cl)cc2C)cc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.65
MEN1 O00255 6/20 0.65
ALDH1A1 P00352 5/20 0.65
HTT P42858 2/20 0.65
L3MBTL1 Q9Y468 2/20 0.65
THRB P10828 1/20 0.65
POLB P06746 2/20 0.59
NPC1 O15118 4/20 0.58
RAB9A P51151 3/20 0.56
ERCC1 P07992 1/20 0.54
ERCC4 Q92889 1/20 0.54
CNR1 P21554 1/20 0.54
ANO1 Q5XXA6 1/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL9926520 0.84 MEN1 (0.55) KMT2AMEN1ALDH1A1L3MBTL1NPC1
SCHEMBL9926533 0.82 SMN1; SMN2 (0.66) KMT2AMEN1ALDH1A1HTTNPC1
SCHEMBL16562183 0.76 ALDH1A1 (0.66) KMT2AMEN1ALDH1A1THRBPOLB
SCHEMBL16562208 0.76 GAA (0.75) KMT2AMEN1ALDH1A1HTTL3MBTL1
SCHEMBL9926532 0.75 HTT (0.54) KMT2AMEN1ALDH1A1HTTPOLB
SCHEMBL9926518 0.75 NPC1 (0.57) KMT2AMEN1HTTPOLBNPC1
SCHEMBL8651767 0.74 P2RX7 (0.47) KMT2AMEN1ALDH1A1HTTL3MBTL1
SCHEMBL9926464 0.74 P2RX7 (0.51) POLB
SCHEMBL10923842 0.74 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1HTTL3MBTL1
SCHEMBL3845087 0.74 ALDH1A1 (0.68) KMT2AMEN1ALDH1A1HTTPOLB

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-20120149661-A1 TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS NOVARTIS AG (CH) 2012-06-14 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-20120149661-A1 TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS MDM4, MDM2, TP53 KMT2A 1512/4885MEN1 510/4885ALDH1A1 4361/4885

“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.