SCHEMBL3770648

SCHEMBL3770648

Cc1noc(NC(=O)N2CCC(c3nnc(-c4ccccc4)o3)CC2)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.48
CYP2C9 P11712 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HSD11B1 P28845 1/20 0.48
TNKS O95271 6/20 0.46
PARP1 P09874 6/20 0.46
PARP2 Q9UGN5 6/20 0.46
SMO Q99835 2/20 0.46
MAPT P10636 2/20 0.46
TP53 P04637 3/20 0.43
ENPP2 Q13822 1/20 0.43
TUBB4A P04350 2/20 0.43
TUBB P07437 2/20 0.43
TUBA3C P0DPH7 2/20 0.43
TUBA1B P68363 2/20 0.43
TUBA4A P68366 2/20 0.43
TUBB4B P68371 2/20 0.43
TUBB3 Q13509 2/20 0.43
TUBB2A Q13885 2/20 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
SCHEMBL13666086 0.79 RBP4 (0.55) HDAC3CYP2C9HDAC1HDAC6HSD11B1
SCHEMBL5633461 0.77 HDAC3 (0.62) HDAC3CYP2C9HDAC1HDAC6HSD11B1
SCHEMBL3765636 0.77 FAAH (0.66)
SCHEMBL3442011 0.74 DGAT1 (0.52) CYP2C9MAPTUSP2POLB
SCHEMBL17339930 0.72 POLB (0.55) HDAC3CYP2C9HDAC1HDAC6HSD11B1
SCHEMBL440844 0.72 SMN1; SMN2 (0.65) HDAC3CYP2C9HDAC1HDAC6HSD11B1
SCHEMBL3442740 0.71 USP2 (0.52) CYP2C9MAPTUSP2POLB
SCHEMBL3442445 0.71 DGAT1 (0.49) HDAC3MAPT
SCHEMBL3773314 0.71 EPHX2 (0.44) MAPTENPP2POLB
SCHEMBL10040545 0.71 TP53 (0.48) HDAC3CYP2C9HDAC1HDAC6HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7851473-B2 Amide compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-14 US disclosed
US-7851473-B2 Amide compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-14 US disclosed
US-7851473-B2 Amide compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-14 US disclosed
US-20080312226-A1 Amide Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US disclosed
US-20080312226-A1 Amide Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US disclosed
US-20080312226-A1 Amide Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US disclosed
EP-1813606-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-08-01 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-20080312226-A1 Amide Compound FAAH, FAAH2, CNR2 HDAC3 29/4885CYP2C9 391/4885HDAC1 24/4885

“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.