SCHEMBL610993

SCHEMBL610993

CC(C)(C)OC(=O)N[C@H]1CN(c2ncc(C(=N)NO)cn2)C[C@@H]1c1cc(F)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.40
HDAC6 Q9UBN7 7/20 0.37
HDAC3 O15379 4/20 0.37
HDAC1 Q13547 4/20 0.37
HDAC2 Q92769 4/20 0.37
HDAC4 P56524 3/20 0.37
HDAC7 Q8WUI4 3/20 0.37
HDAC10 Q969S8 3/20 0.37
HDAC11 Q96DB2 3/20 0.37
HDAC8 Q9BY41 3/20 0.37
HDAC9 Q9UKV0 3/20 0.37
HDAC5 Q9UQL6 3/20 0.37
CYP3A4 P08684 1/20 0.37
KDM1A O60341 4/20 0.36
F2R P25116 1/20 0.35
NPY5R Q15761 3/20 0.34
NR1H2 P55055 1/20 0.34
EIF2AK4 Q9P2K8 1/20 0.34
RET P07949 2/20 0.34
DPP4 P27487 1/20 0.34

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
SCHEMBL1724455 1.00 NTRK1 (0.40) NTRK1HDAC6HDAC3HDAC1HDAC2
SCHEMBL14722979 0.90 NTRK1 (0.41) NTRK1HDAC6HDAC3HDAC1HDAC2
SCHEMBL6128115 0.90 NTRK1 (0.41) NTRK1HDAC6HDAC3HDAC1HDAC2
SCHEMBL14723522 0.90 NR1H2 (0.42) NTRK1HDAC6HDAC3HDAC1HDAC2
SCHEMBL458712 0.89 NTRK1 (0.41) NTRK1KDM1AF2RNPY5RNR1H2
SCHEMBL610961 0.89 NTRK1 (0.41) NTRK1KDM1AF2RNPY5RNR1H2
SCHEMBL470735 0.88 NTRK1 (0.42) NTRK1KDM1AF2RNPY5RNR1H2
SCHEMBL457722 0.88 NTRK1 (0.41) NTRK1KDM1AF2RNPY5RNR1H2
SCHEMBL457724 0.88 NTRK1 (0.41) NTRK1KDM1AF2RNPY5RNR1H2
SCHEMBL470570 0.88 NTRK1 (0.43) NTRK1KDM1AF2RNPY5RNR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040953-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-02-16 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 (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-20120040953-A1 Compounds for the Treatment of Metabolic Disorders GPR119, GPR132, FFAR2 NTRK1 3765/4885HDAC6 2312/4885HDAC3 1534/4885

“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.