SCHEMBL950010

SCHEMBL950010

O=C(OCc1ccccc1)N1CCC(N2Cc3cnc(CO)n3C2=O)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.49
F10 P00742 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
CYP2C19 P33261 1/20 0.47
GRIN2B Q13224 9/20 0.46
CYP2D6 P10635 4/20 0.45
CYP2C9 P11712 4/20 0.45
CYP3A4 P08684 3/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTT P42858 1/20 0.42
FAAH O00519 1/20 0.41
FKBP1A P62942 1/20 0.41
HTR1A P08908 1/20 0.40
ADRA2C P18825 1/20 0.40

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
SCHEMBL947735 0.91 SMN1; SMN2 (0.48) F2F10SMN1; SMN2NPC1RAB9A
SCHEMBL948511 0.87 SMN1; SMN2 (0.44) F2F10SMN1; SMN2NPC1RAB9A
SCHEMBL947906 0.74 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL14334656 0.74 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL2855618 0.73 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL5866399 0.73 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL31435518 0.72 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL5493772 0.72 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL6968512 0.72 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL6969799 0.71 SMN1; SMN2 (0.61) 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-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20070004736-A1 Imidazole derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-04 US disclosed
EP-1564213-A1 IMIDAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-08-17 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 (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-20070004736-A1 Imidazole derivative, process for producing the same, and use HRH4, F2, HRH2 F2 2/4885F10 545/4885SMN1; SMN2 3368/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 F2 1/4885F10 490/4885SMN1; SMN2 3635/4885

“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.