SCHEMBL3322002

SCHEMBL3322002

O=C(CC12CC3CC(CC(C3)C1)C2)NCc1ccc(-c2ccccn2)s1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
MEN1 O00255 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.53
P2RX7 Q99572 5/20 0.51
POLB P06746 1/20 0.51
HSD11B1 P28845 2/20 0.47
ALDH1A1 P00352 2/20 0.46
RAB9A P51151 1/20 0.44
USP2 O75604 1/20 0.44

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
SCHEMBL3322819 0.84 HSD11B1 (0.55) KMT2AMEN1P2RX7POLBHSD11B1
SCHEMBL3321995 0.81 P2RX7 (0.74) KMT2AMEN1SMN1; SMN2P2RX7POLB
SCHEMBL9373354 0.75 HDAC3 (0.51) KMT2AMEN1SMN1; SMN2POLBALDH1A1
SCHEMBL3323255 0.73 KMT2A (0.60) KMT2AMEN1SMN1; SMN2P2RX7POLB
SCHEMBL3327631 0.73 HSD11B1 (0.67) KMT2AMEN1SMN1; SMN2P2RX7POLB
SCHEMBL13361624 0.68 KMT2A (0.53) KMT2AMEN1SMN1; SMN2P2RX7POLB
SCHEMBL3322028 0.68 KMT2A (1.00) KMT2AMEN1SMN1; SMN2P2RX7POLB
SCHEMBL5556786 0.67 MMP9 (0.49)
SCHEMBL5663650 0.66 KDM4E (0.59) KMT2AMEN1POLBALDH1A1RAB9A
SCHEMBL3327366 0.66 KMT2A (0.63) KMT2AMEN1SMN1; SMN2P2RX7POLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120789-A1 Compound STERIX LIMITED (GB) 2010-05-13 US disclosed
US-20100120789-A1 Compound STERIX LIMITED (GB) 2010-05-13 US disclosed
US-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors STERIX LIMITED (GB) 2009-02-12 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 (2 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-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors HSD3B1, HSD3B2, HSD11B1 KMT2A 3083/4885MEN1 3474/4885SMN1; SMN2 4801/4885
US-20100120789-A1 Compound NR0B2, NR0B1, NR4A1 KMT2A 2533/4885MEN1 2608/4885SMN1; SMN2 4612/4885

“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.