SCHEMBL6569031

SCHEMBL6569031

NNC(=O)c1cccc(Cl)c1-n1cccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
AOC2 O75106 4/20 0.46
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP2C9 P11712 2/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
OGG1 O15527 1/20 0.40
CYP2D6 P10635 1/20 0.40
KLKB1 P03952 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CTSD P07339 1/20 0.39

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
SCHEMBL6571494 0.90 ALDH1A1 (0.48) ALDH1A1AOC2KDM4EMAPTGAA
SCHEMBL10074345 0.81 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTSMN1; SMN2CYP1A2
SCHEMBL6570116 0.80 TSHR (0.55) ALDH1A1KDM4EMAPTSMN1; SMN2CYP1A2
SCHEMBL10558954 0.78 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTPOLBLMNA
SCHEMBL6747916 0.77 NR4A2 (0.47) ALDH1A1KDM4EMAPTCYP1A2CYP3A4
SCHEMBL3607272 0.75 KLKB1 (0.61) ALDH1A1KDM4EMAPTGAAPOLB
SCHEMBL4384455 0.75 TAS1R3 (0.60) ALDH1A1KDM4EMAPTPOLBOGG1
SCHEMBL406614 0.75 POLB (0.69) ALDH1A1KDM4EMAPTCYP1A2CYP2C19
SCHEMBL4370149 0.73 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTCYP1A2CYP2C19
Hydrochloric Acid SCHEMBL2452557 0.73 POLB (0.67) ALDH1A1KDM4EMAPTCYP1A2CYP2C19

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-20040110963-A1 Novel hydrazones ARPIDA AG (CH) 2004-06-10 US disclosed
EP-1404644-A2 NOVEL HYDRAZONES Arpida AG, (CH) 2004-04-07 EP disclosed
WO-2002070464-A2 HYDRAZONES AND THEIR THERAPEUTIC USE ARPIDA AG (CH) 2002-09-12 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-20040110963-A1 Novel hydrazones H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HK1, MPO ALDH1A1 956/4885AOC2 1945/4885KDM4E 3228/4885

“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.