SCHEMBL4023975

SCHEMBL4023975

[C-]#[N+]c1ccc(OC(=O)N2CCC(N3CCCCC3)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.65
CYP2D6 P10635 1/20 0.65
ALDH1A1 P00352 2/20 0.55
POLB P06746 1/20 0.55
L3MBTL3 Q96JM7 7/20 0.49
L3MBTL1 Q9Y468 6/20 0.49
MBTD1 Q05BQ5 5/20 0.49
CHRNA7 P36544 1/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TP53BP1 Q12888 2/20 0.47
L3MBTL4 Q8NA19 1/20 0.47
MAPT P10636 2/20 0.46
HTT P42858 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
ACHE P22303 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
SCHEMBL4018680 0.83 CYP1A2 (0.69) CYP1A2CYP2D6ALDH1A1POLBL3MBTL3
SCHEMBL13645932 0.83 CYP1A2 (0.69) CYP1A2CYP2D6ALDH1A1POLBL3MBTL3
SCHEMBL8149995 0.82 CYP1A2 (0.67) CYP1A2CYP2D6ALDH1A1POLBL3MBTL3
SCHEMBL4993839 0.81 CYP1A2 (0.67) CYP1A2CYP2D6ALDH1A1POLBL3MBTL3
SCHEMBL21766914 0.80 CYP2D6 (0.65) CYP1A2CYP2D6ALDH1A1POLBL3MBTL3
SCHEMBL13475706 0.80 CYP1A2 (0.65) CYP1A2CYP2D6ALDH1A1POLBL3MBTL3
SCHEMBL4018355 0.79 CYP1A2 (1.00) CYP1A2CYP2D6ALDH1A1POLB
SCHEMBL4015892 0.78 CYP2D6 (0.62) CYP1A2CYP2D6ALDH1A1POLBL3MBTL3
SCHEMBL31323039 0.77 SMN1; SMN2 (0.66) CYP1A2CYP2D6ALDH1A1POLBL3MBTL3
SCHEMBL23199813 0.73 CYP1A2 (0.57) CYP1A2CYP2D6ALDH1A1POLBL3MBTL3

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-7514418-B2 Camptothecin analogs and methods of preparation thereof University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2009-04-07 US disclosed
US-20070259905-A1 Camptothecin analogs and methods of preparation thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-11-08 US disclosed
US-6150343-A 10-HYDROXY-7-SUBSTITUTED SILYLCAMPTOTHECIN DERIVATIVE IS USED AS ANTICARCINOGENIC AND ANTITUMOR AGENT UNIVERSITY OF PITTSBURGH (US) 2000-11-21 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-20070259905-A1 Camptothecin analogs and methods of preparation thereof ADCY9, BCL9, ADCY10 CYP1A2 703/4885CYP2D6 619/4885ALDH1A1 1767/4885

“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.