SCHEMBL30345929

SCHEMBL30345929

CN1CCN(c2ccc([N+](=O)[O-])cc2)CC12CC2

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.60
LMNA P02545 2/20 0.55
POLB P06746 1/20 0.53
MAPT P10636 6/20 0.51
CRBN Q96SW2 2/20 0.49
ALDH1A1 P00352 4/20 0.49
ADRB1 P08588 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GAA P10253 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
SCHEMBL1399562 0.85 SIRT6 (0.64) SIRT6LMNAPOLBMAPTCRBN
SCHEMBL29310298 0.81 SIRT6 (0.51) SIRT6LMNAPOLBMAPTCRBN
SCHEMBL29580457 0.79 MEN1 (0.53) SIRT6LMNAPOLBMAPTCRBN
SCHEMBL29520409 0.79 ALDH1A1 (0.57) LMNAPOLBMAPTALDH1A1MEN1
SCHEMBL22466224 0.78 SIRT6 (0.58) SIRT6LMNAPOLBMAPTCRBN
SCHEMBL16206797 0.78 SIRT6 (0.59) SIRT6LMNAPOLBMAPTCRBN
SCHEMBL19003706 0.78 ADRB1 (0.43) LMNAPOLBMAPTALDH1A1ADRB1
SCHEMBL7986410 0.77 SIRT6 (0.66) SIRT6LMNAPOLBMAPTCRBN
SCHEMBL16195957 0.77 MAPT (0.60) SIRT6LMNAPOLBMAPTCRBN
SCHEMBL15271381 0.77 SIRT6 (0.81) SIRT6LMNAPOLBMAPTALDH1A1

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
CN-118891261-A Covalent EGFR inhibitors and methods of use thereof 丹娜-法伯癌症研究院 2024-11-01 CN disclosed
US-20240352021-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2024-10-24 US disclosed
EP-4419529-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF Dana-Farber Cancer Institute, Inc. (US) 2024-08-28 EP disclosed
WO-2023069959-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-04-27 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 (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-20240352021-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF EGFR, ERBB2, ERBB3 SIRT6 2575/4885LMNA 3596/4885POLB 930/4885

“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.