SCHEMBL9933959

SCHEMBL9933959

O=C(O)C1CCCN(c2cccc3c2C(=O)N(Cc2ccncc2)C3=O)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP1B1 Q16678 1/20 0.42
ALDH1A1 P00352 6/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
BLM P54132 1/20 0.42
UTS2R Q9UKP6 2/20 0.42
HSD17B10 Q99714 1/20 0.41
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
ACHE P22303 1/20 0.38
POLB P06746 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
SCHEMBL9933955 1.00 NOTUM (0.42) NOTUMCYP1A2CYP3A4CYP2C9CYP1B1
SCHEMBL9934211 1.00 NOTUM (0.42) NOTUMCYP1A2CYP3A4CYP2C9CYP1B1
SCHEMBL9934707 0.85 UBE2N (0.43) ALDH1A1KMT2AMEN1HSD17B10KDM4E
SCHEMBL9933624 0.83 KMT2A (0.44) ALDH1A1KMT2AMAPTKDM4ELMNA
SCHEMBL9973897 0.83 TSHR (0.59) CYP1A2CYP3A4ALDH1A1KMT2AMEN1
SCHEMBL9973907 0.82 P2RX7 (0.42) ALDH1A1KMT2AMEN1HSD17B10KDM4E
SCHEMBL9934231 0.82 KMT2A (0.55) ALDH1A1KMT2AMEN1NPC1MAPT
SCHEMBL9973895 0.82 P2RX7 (0.42) ALDH1A1KMT2AMEN1HSD17B10KDM4E
SCHEMBL9973896 0.82 SMN1; SMN2 (0.52) ALDH1A1KMT2AMEN1UTS2RHSD17B10
SCHEMBL9934664 0.80 MAPT (0.51) ALDH1A1KMT2AMEN1NPC1RAB9A

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 NOTUM 3990/4885CYP1A2 606/4885CYP3A4 442/4885

“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.