SCHEMBL9934707

SCHEMBL9934707

O=C(NCC1CCCCC1)[C@@H]1CCCN(c2cccc3c2C(=O)N(Cc2ccncc2)C3=O)C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
UBE2N P61088 2/20 0.43
GPBAR1 Q8TDU6 5/20 0.41
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
CCR3 P51677 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ACKR3 P25106 1/20 0.39

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
SCHEMBL9973900 0.85 MAPT (0.42) GPBAR1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL9934211 0.85 NOTUM (0.42) KMT2AMEN1ALDH1A1KDM4EHSD17B10
SCHEMBL9933955 0.85 NOTUM (0.42) KMT2AMEN1ALDH1A1KDM4EHSD17B10
SCHEMBL9933959 0.85 NOTUM (0.42) KMT2AMEN1ALDH1A1KDM4EHSD17B10
SCHEMBL9933624 0.85 KMT2A (0.44) GPBAR1KMT2AALDH1A1KDM4E
SCHEMBL9973897 0.85 TSHR (0.59) KMT2AMEN1ALDH1A1KDM4E
SCHEMBL9973907 0.84 P2RX7 (0.42) GPBAR1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL9934231 0.84 KMT2A (0.55) KMT2AMEN1ALDH1A1KDM4E
SCHEMBL9973895 0.84 P2RX7 (0.42) GPBAR1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL9935464 0.82 MAPT (0.51) KMT2AMEN1ALDH1A1

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 UBE2N 4560/4885GPBAR1 26/4885CKS1B 4513/4885

“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.