SCHEMBL20135084

SCHEMBL20135084

Cc1cnc(NC(=O)C2CCN(C(=O)OCc3ccccc3)CC2)c(Br)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
HTT P42858 1/20 0.55
ENPP2 Q13822 3/20 0.53
CYP2C19 P33261 1/20 0.52
MAPT P10636 2/20 0.49
GRIN2B Q13224 9/20 0.48
CYP2D6 P10635 3/20 0.46
CYP2C9 P11712 3/20 0.46
CYP3A4 P08684 2/20 0.46
CCKBR P32239 1/20 0.46
LMNA P02545 1/20 0.45

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
SCHEMBL20135492 0.91 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AHTTENPP2
SCHEMBL29813610 0.83 GFER (0.63) SMN1; SMN2RAB9AMAPTCYP2C9CYP3A4
SCHEMBL21206785 0.83 GFER (0.63) SMN1; SMN2RAB9AMAPTCYP2C9CYP3A4
SCHEMBL5347264 0.81 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9AHTTENPP2
SCHEMBL4509567 0.79 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9AHTTENPP2
SCHEMBL25237507 0.77 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AHTTENPP2
SCHEMBL11750711 0.77 ENPP2 (0.78) SMN1; SMN2NPC1RAB9AHTTENPP2
SCHEMBL1554384 0.77 GRIN2B (0.71) SMN1; SMN2NPC1RAB9AHTTENPP2
SCHEMBL3533651 0.76 SMN1; SMN2 (0.77) SMN1; SMN2NPC1RAB9AHTTENPP2
SCHEMBL5352840 0.76 GRIN2B (0.60) SMN1; SMN2NPC1RAB9AHTTENPP2

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.