SCHEMBL5452619

SCHEMBL5452619

CN(C)CC(=O)Nc1cccc2cccnc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.68
▸ POLB P06746 2/20 0.64
▸ HDAC1 Q13547 4/20 0.63
▸ HTT P42858 1/20 0.61
▸ LMNA P02545 3/20 0.60
▸ MAPT P10636 3/20 0.60
▸ HPGD P15428 1/20 0.60
▸ TSHR P16473 1/20 0.60
▸ HDAC6 Q9UBN7 3/20 0.59
▸ HDAC3 O15379 2/20 0.59
▸ HDAC4 P56524 2/20 0.59
▸ HDAC7 Q8WUI4 2/20 0.59
▸ HDAC2 Q92769 2/20 0.59
▸ HDAC10 Q969S8 2/20 0.59
▸ HDAC11 Q96DB2 2/20 0.59
▸ HDAC8 Q9BY41 2/20 0.59
▸ HDAC9 Q9UKV0 2/20 0.59
▸ HDAC5 Q9UQL6 2/20 0.59
▸ ALDH1A1 P00352 1/20 0.57
▸ MEN1 O00255 2/20 0.56

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
SCHEMBL19329340 0.86 TDP1 (0.64) TDP1POLBHDAC1HTTLMNA
SCHEMBL1753903 0.85 TDP1 (0.79) TDP1POLBHDAC1HTTLMNA
SCHEMBL8401892 0.84 TDP1 (0.73) TDP1POLBHDAC1HTTLMNA
SCHEMBL9464627 0.83 POLB (0.88) TDP1POLBHDAC1HTTLMNA
SCHEMBL29165808 0.83 TDP1 (0.68) TDP1POLBHDAC1HTTLMNA
SCHEMBL30631861 0.83 TDP1 (0.68) TDP1POLBHDAC1HTTLMNA
SCHEMBL17199417 0.82 TDP1 (0.56) TDP1POLBHDAC1HTTLMNA
SCHEMBL28257108 0.81 POLB (0.74) TDP1POLBHDAC1HTTLMNA
SCHEMBL31174344 0.81 TDP1 (0.73) TDP1POLBHDAC1HTTLMNA
SCHEMBL9464308 0.81 HTT (0.89) TDP1POLBHDAC1HTTLMNA

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-20070254894-A1 Novel small molecules with selective cytotoxicity against human microvascular endothelial cell proliferation KANE JOHN L JR 2007-11-01 — — US disclosed
US-20070254894-A1 Novel small molecules with selective cytotoxicity against human microvascular endothelial cell proliferation KANE JOHN L JR 2007-11-01 — — US disclosed
US-20070254894-A1 Novel small molecules with selective cytotoxicity against human microvascular endothelial cell proliferation KANE JOHN L JR 2007-11-01 — — 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-20070254894-A1 Novel small molecules with selective cytotoxicity against human microvascular endothelial cell proliferation MKI67, VEGFA, KDR TDP1 3107/4885POLB 1252/4885HDAC1 1491/4885

“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