SCHEMBL9973907

SCHEMBL9973907

O=C(NCC12CC3CC(CC(C3)C1)C2)C1CCCN(c2cccc3c2C(=O)N(Cc2ccncc2)C3=O)C1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.42
GPBAR1 Q8TDU6 5/20 0.39
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 1/20 0.37
KDM4E B2RXH2 3/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL9973895 1.00 P2RX7 (0.42) P2RX7GPBAR1ALDH1A1HSD17B10KDM4E
SCHEMBL9934707 0.84 UBE2N (0.43) GPBAR1ALDH1A1HSD17B10KDM4EMEN1
SCHEMBL9934211 0.82 NOTUM (0.42) ALDH1A1HSD17B10KDM4EMEN1KMT2A
SCHEMBL9933959 0.82 NOTUM (0.42) ALDH1A1HSD17B10KDM4EMEN1KMT2A
SCHEMBL9933955 0.82 NOTUM (0.42) ALDH1A1HSD17B10KDM4EMEN1KMT2A
SCHEMBL9973897 0.82 TSHR (0.59) ALDH1A1KDM4ETSHRMEN1KMT2A
SCHEMBL9933624 0.82 KMT2A (0.44) GPBAR1ALDH1A1KDM4ETSHRKMT2A
SCHEMBL9934231 0.81 KMT2A (0.55) ALDH1A1KDM4ETSHRMEN1KMT2A
SCHEMBL9934664 0.79 MAPT (0.51) ALDH1A1TSHRMEN1KMT2A
SCHEMBL9973900 0.79 MAPT (0.42) GPBAR1ALDH1A1HSD17B10KDM4ETSHR

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 2 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 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 P2RX7 1/4885GPBAR1 26/4885ALDH1A1 820/4885

“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.