SCHEMBL9934138

SCHEMBL9934138

CSc1ccccc1CNC(=O)[C@@H]1CCCN(c2cccc3c2C(=O)N(Cc2ccncc2)C3=O)C1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 3/20 0.42
DGAT2 Q96PD7 1/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39
TP53 P04637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.38
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38

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 0.89 KMT2A (0.44) LMNAKMT2ADGAT2KDM4EALDH1A1
SCHEMBL9934231 0.89 KMT2A (0.55) LMNAKMT2AKDM4EALDH1A1MAPT
SCHEMBL9935464 0.88 MAPT (0.51) KMT2ADGAT2ALDH1A1MAPTTP53
SCHEMBL9933790 0.88 MAPT (0.51) KMT2ADGAT2ALDH1A1MAPTTP53
SCHEMBL9934664 0.88 MAPT (0.51) KMT2ADGAT2ALDH1A1MAPTTP53
SCHEMBL9934450 0.87 MAPT (0.44) LMNAKMT2ADGAT2KDM4EALDH1A1
SCHEMBL9933466 0.87 TSHR (0.54) LMNAKMT2ADGAT2KDM4EALDH1A1
SCHEMBL9933957 0.85 ALDH1A1 (0.52) KMT2ADGAT2ALDH1A1MAPTNPSR1
SCHEMBL9932874 0.85 EPHX2 (0.48) KMT2ADGAT2KDM4EALDH1A1MAPT
SCHEMBL9973897 0.83 TSHR (0.59) LMNAPKMKMT2AKDM4EALDH1A1

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 LMNA 2320/4885PKM 1982/4885KMT2A 4820/4885

“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.