SCHEMBL9933466

SCHEMBL9933466

CCOc1ccccc1CNC(=O)[C@@H]1CCCN(c2cccc3c2C(=O)N(Cc2ccncc2)C3=O)C1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
ALDH1A1 P00352 2/20 0.54
KMT2A Q03164 4/20 0.51
MEN1 O00255 1/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 5/20 0.47
TP53 P04637 2/20 0.47
KDM4E B2RXH2 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 1/20 0.43
DGAT2 Q96PD7 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL9934664 0.93 MAPT (0.51) TSHRALDH1A1KMT2AMEN1MAPT
SCHEMBL9933790 0.93 MAPT (0.51) TSHRALDH1A1KMT2AMEN1MAPT
SCHEMBL9935464 0.93 MAPT (0.51) TSHRALDH1A1KMT2AMEN1MAPT
SCHEMBL9932874 0.89 EPHX2 (0.48) TSHRALDH1A1KMT2AMEN1MAPT
SCHEMBL9933957 0.88 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1POLBMAPT
SCHEMBL9933624 0.88 KMT2A (0.44) TSHRALDH1A1KMT2AMAPTTP53
SCHEMBL9934231 0.87 KMT2A (0.55) TSHRALDH1A1KMT2AMEN1MAPT
SCHEMBL9934138 0.87 LMNA (0.44) TSHRALDH1A1KMT2AMEN1MAPT
SCHEMBL9934450 0.86 MAPT (0.44) ALDH1A1KMT2AMEN1POLBMAPT
SCHEMBL9973902 0.82 MAPT (0.54) TSHRALDH1A1KMT2AMEN1MAPT

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 TSHR 2175/4885ALDH1A1 820/4885KMT2A 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.