SCHEMBL19356550

SCHEMBL19356550

CC(C)(C)n1ncc(N=O)c(Cl)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 8/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ GALR3 O60755 1/20 0.44
▸ NR2F2 P24468 1/20 0.44
▸ GPR183 P32249 1/20 0.44
▸ GPR35 Q9HC97 1/20 0.44
▸ HTT P42858 3/20 0.42
▸ HPGD P15428 2/20 0.42
▸ ATM Q13315 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.41
▸ TSHR P16473 6/20 0.36
▸ MAPK1 P28482 3/20 0.36
▸ CYP3A4 P08684 3/20 0.36
▸ CYP2C9 P11712 3/20 0.36
▸ CYP2C19 P33261 3/20 0.36
▸ CYP2D6 P10635 2/20 0.36

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
SCHEMBL1627210 0.78 SMN1; SMN2 (0.50) SMN1; SMN2KMT2ANPC1MEN1LMNA
SCHEMBL17738012 0.77 SMN1; SMN2 (0.50) SMN1; SMN2KMT2ANPC1MEN1LMNA
SCHEMBL11272569 0.75 SMN1; SMN2 (0.46) SMN1; SMN2KMT2ANPC1MEN1LMNA
SCHEMBL27619400 0.75 SMN1; SMN2 (0.46) SMN1; SMN2KMT2ANPC1MEN1LMNA
SCHEMBL3847199 0.75 SMN1; SMN2 (0.46) SMN1; SMN2KMT2ANPC1MEN1LMNA
SCHEMBL1627207 0.75 SMN1; SMN2 (0.46) SMN1; SMN2KMT2ANPC1MEN1LMNA
SCHEMBL5275461 0.73 HPGD (0.31) SMN1; SMN2HPGD
SCHEMBL21511152 0.72 SMN1; SMN2 (0.57) SMN1; SMN2KMT2ANPC1MEN1LMNA
SCHEMBL7016487 0.72 SMN1; SMN2 (0.51) SMN1; SMN2KMT2ANPC1MEN1LMNA
SCHEMBL8543541 0.71 SMN1; SMN2 (0.64) SMN1; SMN2KMT2ANPC1MEN1LMNA

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-20170258947-A1 METHODS AND APPARATUS FOR SYNTHESIZING IMAGING AGENTS, AND INTERMEDIATES THEREOF LANTHEUS MEDICAL IMAGING, INC. (US) 2017-09-14 — — 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-20170258947-A1 METHODS AND APPARATUS FOR SYNTHESIZING IMAGING AGENTS, AND INTERMEDIATES THEREOF TNNI3, FABP3, MPI SMN1; SMN2 2628/4885KMT2A 4371/4885NPC1 1259/4885

“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.

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