SCHEMBL6424561

SCHEMBL6424561

O=C(Nc1cccc(N2CCOCC2)c1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.63
RAB9A P51151 4/20 0.61
NPC1 O15118 3/20 0.61
HDAC1 Q13547 2/20 0.61
SETD2 Q9BYW2 2/20 0.60
HTT P42858 2/20 0.60
POLB P06746 2/20 0.60
KDM4E B2RXH2 1/20 0.60
MAPT P10636 5/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
ALDH1A1 P00352 1/20 0.58
EPHX1 P07099 1/20 0.58
RPS6KA2 Q15349 1/20 0.58
KCNK3 O14649 1/20 0.58
KCNK9 Q9NPC2 1/20 0.58
HDAC6 Q9UBN7 2/20 0.58
HDAC8 Q9BY41 1/20 0.58
DGAT1 O75907 1/20 0.58
MAPK14 Q16539 1/20 0.57
HDAC3 O15379 1/20 0.57

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
SCHEMBL27528931 0.88 NPC1 (0.74) RAB9ANPC1HDAC1SETD2KDM4E
SCHEMBL1535782 0.87 NPC1 (0.69) RAB9ANPC1HTTPOLBKDM4E
SCHEMBL12764316 0.87 MAPT (0.65) RAB9ANPC1SETD2HTTPOLB
SCHEMBL16583818 0.86 KMO (0.61) KMOHDAC1SETD2HTTPOLB
SCHEMBL2565238 0.86 HDAC8 (0.76) RAB9ANPC1HTTMAPTSMN1; SMN2
SCHEMBL4252909 0.86 HDAC8 (0.76) RAB9ANPC1HDAC1MAPTSMN1; SMN2
SCHEMBL18132587 0.86 KMO (0.56) KMORAB9ANPC1HDAC1SETD2
SCHEMBL12764351 0.85 MAPT (0.62) KMORAB9ANPC1SETD2HTT
SCHEMBL6882558 0.84 AURKA (0.54) KMORAB9AHDAC1SETD2HTT
SCHEMBL5116840 0.84 SMN1; SMN2 (0.54) KMORAB9AHDAC1SETD2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1102743-B1 AMIDE DERIVATIVES WHICH ARE USEFUL AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2002-07-24 EP claimed
CN-109134281-B Method for synthesizing m-dialkylaminophenol 浙江山峪科技股份有限公司 2021-10-08 CN disclosed
US-20050038081-A1 Amidobenzamide derivatives which are useful as cytokine inhibitors ASTRAZENECA 2005-02-17 US disclosed
US-6821965-B1 IMPORTANT IN DISEASE OR MEDICAL CONDITIONS SUCH AS INFLAMMATION AND IMMUNOREGULATION ASTERZENECA AB (SE) 2004-11-23 US disclosed
EP-1102743-B1 AMIDE DERIVATIVES WHICH ARE USEFUL AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2002-07-24 EP 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-20050038081-A1 Amidobenzamide derivatives which are useful as cytokine inhibitors IL6, IL6ST, IL2 KMO 162/4885RAB9A 1437/4885NPC1 2786/4885

“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.