SCHEMBL4289775

SCHEMBL4289775

COC(=O)c1c(C)nn(CC[C@@H]2CN(C(=O)O)CCN2C(=O)O)c1C

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.31
POLB P06746 3/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
PKM P14618 1/20 0.30

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
Hydrochloric Acid SCHEMBL4281468 0.79 REN (0.33) HPGD
SCHEMBL4292396 0.74 ELANE (0.44) HPGDKMT2AALDH1A1HTT
SCHEMBL4295762 0.74 PTGER4 (0.36) MEN1KMT2AALDH1A1PKM
SCHEMBL4281250 0.74 KDM4E (0.46) POLBKMT2AALDH1A1PKM
SCHEMBL4301642 0.73 CYP11B2 (0.38) MEN1KMT2AALDH1A1HTT
SCHEMBL4291155 0.72 SMN1; SMN2 (0.38) POLBALDH1A1TDP1
SCHEMBL4288567 0.72 FAAH (0.34) POLBKMT2A
SCHEMBL4294615 0.70 LMNA (0.33) HPGDMEN1KMT2AALDH1A1
SCHEMBL4286066 0.70 RAB9A (0.35) POLBALDH1A1TDP1
SCHEMBL4291731 0.69 SMN1; SMN2 (0.38) HPGDPOLBALDH1A1HTTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US 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-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HPGD 106/4885POLB 3799/4885MEN1 1254/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HPGD 106/4885POLB 3799/4885MEN1 1254/4885

“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.