SCHEMBL14060301

SCHEMBL14060301

O=C(O)N1CC2CN(c3ccc([N+](=O)[O-])cc3)CC2C1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.49
▸ MAPT P10636 8/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ LMNA P02545 2/20 0.47
▸ POLB P06746 3/20 0.46
▸ SIRT6 Q8N6T7 2/20 0.46
▸ ADRB1 P08588 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 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
SCHEMBL25312338 0.85 ALDH1A1 (0.50) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL25310869 0.84 MAPT (0.50) AKR1C3MAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL12939934 0.80 MAPT (0.58) AKR1C3MAPTMEN1KMT2AALDH1A1
SCHEMBL29723407 0.80 MAPT (0.71) MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL22495219 0.80 MAPT (0.71) MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL12004775 0.80 MAPT (0.71) MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL10036155 0.80 SIRT6 (0.63) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL17630781 0.80 MAPT (0.53) AKR1C3MAPTMEN1KMT2AALDH1A1
SCHEMBL1393155 0.80 AKR1C3 (0.68) AKR1C3MAPTMEN1KMT2AALDH1A1
SCHEMBL3486900 0.79 MAPT (0.58) AKR1C3MAPTMEN1KMT2AALDH1A1

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-11541132-B2 Radiolabeled compounds HOFFMANN-LA ROCHE INC. (US) 2023-01-03 — — US disclosed
US-20200316232-A1 RADIOLABELED COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2020-10-08 — — US disclosed
EP-2681221-A1 TRICYCLIC INHIBITORS OF KINASES AbbVie Inc. (US) 2014-01-08 — — EP disclosed
WO-2012161812-A1 TRICYCLIC INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-11-29 — — WO 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-11541132-B2 Radiolabeled compounds SNCA, APP, BACE1 AKR1C3 845/4885MAPT 16/4885MEN1 311/4885
US-20200316232-A1 RADIOLABELED COMPOUNDS SNCA, APP, BACE1 AKR1C3 872/4885MAPT 17/4885MEN1 326/4885

“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.

Send feedback