SCHEMBL9933957

SCHEMBL9933957

COc1cccc(CNC(=O)[C@@H]2CCCN(c3cccc4c3C(=O)N(Cc3ccncc3)C4=O)C2)c1OC

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
IGF1R P08069 4/20 0.45
ALK Q9UM73 4/20 0.45
MAPT P10636 4/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
DGAT2 Q96PD7 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL9935464 0.94 MAPT (0.51) ALDH1A1IGF1RALKMAPTKMT2A
SCHEMBL9934664 0.94 MAPT (0.51) ALDH1A1IGF1RALKMAPTKMT2A
SCHEMBL9933790 0.94 MAPT (0.51) ALDH1A1IGF1RALKMAPTKMT2A
SCHEMBL9933466 0.88 TSHR (0.54) ALDH1A1MAPTPOLBKMT2AMEN1
SCHEMBL9933624 0.86 KMT2A (0.44) ALDH1A1MAPTKMT2ANPSR1DGAT2
SCHEMBL9932874 0.86 EPHX2 (0.48) ALDH1A1MAPTKMT2AMEN1DGAT2
SCHEMBL9934231 0.86 KMT2A (0.55) ALDH1A1MAPTKMT2AMEN1NPC1
SCHEMBL9934138 0.85 LMNA (0.44) ALDH1A1MAPTKMT2AMEN1NPSR1
SCHEMBL9973896 0.85 SMN1; SMN2 (0.52) ALDH1A1MAPTPOLBKMT2AMEN1
SCHEMBL9934450 0.85 MAPT (0.44) ALDH1A1MAPTPOLBKMT2AMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120157494-A1 ISOINDOLYL COMPOUNDS HARRIS III RALPH NEW (US) 2012-06-21 US claimed
US-20120157494-A1 ISOINDOLYL COMPOUNDS HARRIS III RALPH NEW (US) 2012-06-21 US disclosed
US-20120157494-A1 ISOINDOLYL COMPOUNDS HARRIS III RALPH NEW (US) 2012-06-21 US disclosed
US-20120157494-A1 ISOINDOLYL COMPOUNDS HARRIS III RALPH NEW (US) 2012-06-21 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-20120157494-A1 ISOINDOLYL COMPOUNDS P2RX7, P2RX3, P2RX1 ALDH1A1 820/4885IGF1R 1471/4885ALK 3139/4885

“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.