SCHEMBL13348930

SCHEMBL13348930

CCN(CC)c1ccc2cc(-n3cc(-c4ccc(N)cc4)nn3)c(=O)oc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA1D P25100 2/20 0.50
▸ ADRA1A P35348 2/20 0.50
▸ ADRA1B P35368 2/20 0.50
▸ CYP19A1 P11511 3/20 0.49
▸ MAPT P10636 12/20 0.48
▸ MEN1 O00255 9/20 0.48
▸ KMT2A Q03164 9/20 0.48
▸ ALDH1A1 P00352 8/20 0.48
▸ KDM4E B2RXH2 8/20 0.48
▸ SMN1; SMN2 Q16637 6/20 0.48
▸ HPGD P15428 5/20 0.48
▸ HTT P42858 5/20 0.48
▸ LMNA P02545 4/20 0.48
▸ USP2 O75604 4/20 0.48
▸ NPC1 O15118 4/20 0.48
▸ L3MBTL1 Q9Y468 4/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ ATM Q13315 5/20 0.47
▸ NPSR1 Q6W5P4 3/20 0.46

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
SCHEMBL13315799 0.90 MAPT (0.58) ADRA1DADRA1AADRA1BCYP19A1MAPT
SCHEMBL3550061 0.90 MAPT (0.60) ADRA1DADRA1AADRA1BCYP19A1MAPT
SCHEMBL13315798 0.86 CA12 (0.45) ADRA1DADRA1AADRA1BCYP19A1MAPT
SCHEMBL12527306 0.86 MAPT (0.45) ADRA1DADRA1AADRA1BCYP19A1MAPT
SCHEMBL12496090 0.85 ADRA1D (0.48) ADRA1DADRA1AADRA1BCYP19A1MAPT
SCHEMBL12494762 0.85 ADRA1D (0.48) ADRA1DADRA1AADRA1BCYP19A1MAPT
SCHEMBL10069265 0.82 ADRA1A (0.35) ADRA1DADRA1AADRA1BMAPTALDH1A1
SCHEMBL30425863 0.82 PGR (0.47) ADRA1DADRA1AADRA1BALDH1A1KDM4E
SCHEMBL13315800 0.82 MAPT (0.52) ADRA1DADRA1AADRA1BCYP19A1MAPT
SCHEMBL13315801 0.82 CYP19A1 (0.51) ADRA1DADRA1AADRA1BCYP19A1MAPT

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-20100152431-A1 COMPOSITIONS, PROBES AND CONJUGATES AND USES THEREOF THIRD WAVE TECHNOLOGIES, INC. (US) 2010-06-17 — — US disclosed
US-7674924-B2 Compositions, probes, and conjugates and uses thereof THIRD WAVE TECHNOLOGIES, INC. (US) 2010-03-09 — — US disclosed
US-20080071074-A1 Compositions, probes, and conjugates and uses thereof THIRD WAVE TECHNOLOGIES, INC. (US) 2008-03-20 — — 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-20100152431-A1 COMPOSITIONS, PROBES AND CONJUGATES AND USES THEREOF ALKBH1, DUT, NT5E ADRA1D 2150/4885ADRA1A 2143/4885ADRA1B 2052/4885
US-20080071074-A1 Compositions, probes, and conjugates and uses thereof ALKBH1, ALK, DUT ADRA1D 1749/4885ADRA1A 1771/4885ADRA1B 1802/4885

“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.

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