SCHEMBL20135602

SCHEMBL20135602

O=C(OCc1ccccc1)N1CCC(n2ccc3cc(Br)cnc32)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
CYP2C19 P33261 1/20 0.48
GRIN2B Q13224 10/20 0.47
CYP2D6 P10635 4/20 0.46
CYP2C9 P11712 4/20 0.46
CYP3A4 P08684 3/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTT P42858 1/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC2 Q92769 1/20 0.42
FAAH O00519 1/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41

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
SCHEMBL20135209 0.94 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL20135210 0.94 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL20135642 0.88 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL20135281 0.83 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL20135283 0.83 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL19461486 0.82 GRIN2B (0.47) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL19461439 0.81 GRIN2B (0.46) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL30031731 0.79 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL23291724 0.77 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL25419933 0.75 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B

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-10407408-B2 Imide derivatives and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-09-10 US disclosed
US-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-03-14 US disclosed
EP-3321256-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE Mitsubishi Tanabe Pharma Corporation (JP) 2018-05-16 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 (2 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-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MMP9, MMP10, MMP1 SMN1; SMN2 2532/4885NPC1 4881/4885RAB9A 270/4885
US-10407408-B2 Imide derivatives and use thereof as medicine MMP9, MMP2, MMP1 SMN1; SMN2 2476/4885NPC1 4882/4885RAB9A 345/4885

“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.