SCHEMBL9933624

SCHEMBL9933624

O=C(NCc1ccccc1O)[C@@H]1CCCN(c2cccc3c2C(=O)N(Cc2ccncc2)C3=O)C1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.42
DGAT2 Q96PD7 1/20 0.41
KDM4E B2RXH2 4/20 0.41
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.40
MAPT P10636 1/20 0.40
GPBAR1 Q8TDU6 2/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40

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
SCHEMBL9934231 0.91 KMT2A (0.55) KMT2AALDH1A1KDM4ELMNANPSR1
SCHEMBL9935464 0.89 MAPT (0.51) KMT2AALDH1A1DGAT2TP53TSHR
SCHEMBL9934664 0.89 MAPT (0.51) KMT2AALDH1A1DGAT2TP53TSHR
SCHEMBL9933790 0.89 MAPT (0.51) KMT2AALDH1A1DGAT2TP53TSHR
SCHEMBL9934138 0.89 LMNA (0.44) KMT2AALDH1A1DGAT2KDM4ELMNA
SCHEMBL9934450 0.89 MAPT (0.44) KMT2AALDH1A1DGAT2KDM4ELMNA
SCHEMBL9933466 0.88 TSHR (0.54) KMT2AALDH1A1DGAT2KDM4ELMNA
SCHEMBL9932874 0.87 EPHX2 (0.48) KMT2AALDH1A1DGAT2KDM4ETSHR
SCHEMBL9933957 0.86 ALDH1A1 (0.52) KMT2AALDH1A1DGAT2NPSR1TP53
SCHEMBL9973897 0.86 TSHR (0.59) KMT2AALDH1A1KDM4ELMNATSHR

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 4820/4885ALDH1A1 820/4885DGAT2 3779/4885

“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.