SCHEMBL6239008

SCHEMBL6239008

CN(C)C1=C(N(C)C(=O)CCl)C(=O)c2ccccc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
LMNA P02545 3/20 0.46
TP53 P04637 1/20 0.46
HKDC1 Q2TB90 3/20 0.44
MAPT P10636 8/20 0.44
NPC1 O15118 5/20 0.41
HTT P42858 5/20 0.41
APAF1 O14727 4/20 0.41
CASP3 P42574 2/20 0.41
SENP8 Q96LD8 2/20 0.41
SENP7 Q9BQF6 2/20 0.41
SENP6 Q9GZR1 2/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
KMT2A Q03164 3/20 0.41
RAB9A P51151 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 4/20 0.40

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
SCHEMBL6192892 0.87 MAOA (0.52) ALDH1A1SMN1; SMN2LMNATP53HKDC1
SCHEMBL6240168 0.85 HKDC1 (0.43) ALDH1A1SMN1; SMN2LMNAHKDC1MAPT
SCHEMBL6240450 0.85 HKDC1 (0.43) ALDH1A1SMN1; SMN2LMNAHKDC1MAPT
SCHEMBL6244405 0.83 HKDC1 (0.41) ALDH1A1SMN1; SMN2LMNATP53HKDC1
SCHEMBL6237007 0.81 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2LMNAHKDC1MAPT
SCHEMBL31171425 0.80 MEN1 (0.55) ALDH1A1SMN1; SMN2LMNATP53HKDC1
SCHEMBL27903738 0.77 MALT1 (0.41) ALDH1A1SMN1; SMN2LMNATP53MAPT
SCHEMBL6192695 0.77 MAPT (0.50) ALDH1A1SMN1; SMN2LMNAMAPTNPC1
SCHEMBL6500778 0.77 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2LMNAHKDC1MAPT
SCHEMBL29967684 0.76 HKDC1 (0.51) ALDH1A1SMN1; SMN2LMNATP53HKDC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005016264-A2 DIAMINE DERIVATIVES OF QUINONE AND USES THEREOF AVALON PHARMACEUTICALS (US) 2005-02-24 WO disclosed
US-20050032794-A1 Diamine derivatives of quinone and uses thereof CLINICAL DATA, INC. 2005-02-10 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-20050032794-A1 Diamine derivatives of quinone and uses thereof NQO1, DPYD, NQO2 ALDH1A1 128/4885SMN1; SMN2 4029/4885LMNA 3778/4885

“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.