SCHEMBL20135566

SCHEMBL20135566

Cc1ccc2nc(C3CCN(C(=O)OCc4ccccc4)CC3)sc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
CYP2C19 P33261 2/20 0.49
GRIN2B Q13224 6/20 0.48
HTT P42858 1/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
GRM5 P41594 1/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2D6 P10635 1/20 0.45
TRPC3 Q13507 2/20 0.44
TRPC7 Q9HCX4 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPT P10636 1/20 0.43
RECQL P46063 1/20 0.43
UBE2M P61081 1/20 0.43
DCUN1D1 Q96GG9 1/20 0.43

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
SCHEMBL2710739 0.82 KMT2A (0.60) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL8594128 0.81 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL20135500 0.79 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL8549063 0.78 TSHR (0.53) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL20135380 0.77 AADAT (0.58) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL8858734 0.75 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL2712342 0.75 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL23201370 0.75 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL31169287 0.75 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL8626081 0.74 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.