SCHEMBL4257630

SCHEMBL4257630

Nc1ccn(Cc2ccccc2)c1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.44
▸ CYP11B1 P15538 3/20 0.42
▸ CYP11B2 P19099 3/20 0.42
▸ IDO1 P14902 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HTR6 P50406 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ NOTUM Q6P988 1/20 0.40
▸ TNF P01375 1/20 0.40
▸ DBH P09172 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ MMP3 P08254 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ HDAC8 Q9BY41 2/20 0.39
▸ HDAC6 Q9UBN7 2/20 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
SCHEMBL28250545 0.76 NOTUM (0.57) ALDH1A1KDM4EL3MBTL1HTR6SMN1; SMN2
SCHEMBL3496060 0.74 NOTUM (0.64) ALDH1A1KDM4EL3MBTL1SMN1; SMN2NOTUM
SCHEMBL3186789 0.73 MAPK14 (0.49) ADORA2AALDH1A1KDM4ESMN1; SMN2TP53
SCHEMBL9080467 0.73 HTT (0.65) ALDH1A1KDM4ESMN1; SMN2NOTUMTP53
SCHEMBL4265207 0.70 NOTUM (0.48) ALDH1A1KDM4ESMN1; SMN2NOTUMTP53
SCHEMBL4273292 0.68 NOTUM (0.52) KDM4ENOTUMCYP19A1POLB
SCHEMBL27529223 0.68 ALDH1A1 (0.52) ADORA2AALDH1A1KDM4EL3MBTL1HTR6
SCHEMBL15804049 0.68 BRD4 (0.54) ALDH1A1KDM4EL3MBTL1SMN1; SMN2HTT
SCHEMBL27693308 0.68 HDAC8 (0.51) ALDH1A1KDM4EL3MBTL1HTR6SMN1; SMN2
SCHEMBL4056966 0.68 HTR6 (0.60) ALDH1A1KDM4EL3MBTL1HTR6SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048258-A1 Amide Compound TAKEDA, PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-19 — — US disclosed
US-20090048258-A1 Amide Compound TAKEDA, PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-19 — — US disclosed
US-20090048258-A1 Amide Compound TAKEDA, PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-19 — — US disclosed
EP-1845081-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-17 — — 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-20090048258-A1 Amide Compound DLAT, DGAT1, DGAT2 ADORA2A 840/4885CYP11B1 1189/4885CYP11B2 1243/4885

“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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