SCHEMBL9934231

SCHEMBL9934231

O=C(NCc1ccccc1F)[C@@H]1CCCN(c2cccc3c2C(=O)N(Cc2ccncc2)C3=O)C1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
KDM4E B2RXH2 3/20 0.52
TP53 P04637 2/20 0.46
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 2/20 0.45
NPC1 O15118 1/20 0.44
MEN1 O00255 3/20 0.42
ALDH1A1 P00352 2/20 0.42
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL9933624 0.91 KMT2A (0.44) KMT2AKDM4ETP53TSHRNPSR1
SCHEMBL9935464 0.89 MAPT (0.51) KMT2ATP53TSHRMAPTNPC1
SCHEMBL9933790 0.89 MAPT (0.51) KMT2ATP53TSHRMAPTNPC1
SCHEMBL9934664 0.89 MAPT (0.51) KMT2ATP53TSHRMAPTNPC1
SCHEMBL9934138 0.89 LMNA (0.44) KMT2AKDM4ETP53TSHRNPSR1
SCHEMBL9932874 0.88 EPHX2 (0.48) KMT2AKDM4ETSHRMAPTMEN1
SCHEMBL9934450 0.88 MAPT (0.44) KMT2AKDM4ELMNAMAPTMEN1
SCHEMBL9933466 0.87 TSHR (0.54) KMT2AKDM4ETP53TSHRNPSR1
SCHEMBL9933957 0.86 ALDH1A1 (0.52) KMT2ATP53NPSR1MAPTNPC1
SCHEMBL9973897 0.85 TSHR (0.59) KMT2AKDM4ETSHRLMNAMEN1

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 KMT2A 4820/4885KDM4E 4645/4885TP53 2418/4885

“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.