SCHEMBL6568396

SCHEMBL6568396

CN(N)C(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.53
▸ SRD5A2 P31213 1/20 0.47
▸ SIGMAR1 Q99720 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ SLC6A2 P23975 1/20 0.45
▸ SLC6A4 P31645 1/20 0.45
▸ SLC6A3 Q01959 1/20 0.45
▸ SCN9A Q15858 1/20 0.45
▸ HSP90AA1 P07900 1/20 0.45
▸ HSP90AB1 P08238 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ PKM P14618 1/20 0.44

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
SCHEMBL9341943 0.80 TSHR (0.48) TSHRSRD5A2SIGMAR1CYP1A2CYP3A4
SCHEMBL2655175 0.78 SLC6A3 (0.54) TSHRSRD5A2SIGMAR1CYP1A2CYP3A4
SCHEMBL25212250 0.78 CES2 (0.50) TSHRSRD5A2CYP1A2CYP2C19SMN1; SMN2
SCHEMBL11819690 0.76 TSHR (0.77) TSHRCYP1A2MEN1KMT2ASMN1; SMN2
SCHEMBL11554303 0.76 PARP1 (0.58) CYP2C19MEN1KMT2ASMN1; SMN2SLC6A2
SCHEMBL11675105 0.75 TSHR (0.52) TSHRSRD5A2MEN1KMT2ASMN1; SMN2
SCHEMBL11591381 0.75 TSHR (0.47) TSHRSRD5A2SIGMAR1MEN1KMT2A
SCHEMBL4252227 0.75 POLB (0.58) TSHRKMT2ASMN1; SMN2KDM4ENPC1
SCHEMBL29556771 0.74 CA12 (0.52) HSP90AA1HSP90AB1KDM4EMAPT
SCHEMBL23067459 0.74 CA12 (0.52) HSP90AA1HSP90AB1KDM4EMAPT

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 TSHR 4535/4885SRD5A2 3121/4885SIGMAR1 2285/4885

“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.

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