SCHEMBL17738012

SCHEMBL17738012

Cc1cnn(C(C)(C)C)c(=O)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 9/20 0.50
▸ LMNA P02545 3/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ GALR3 O60755 1/20 0.47
▸ NR2F2 P24468 1/20 0.47
▸ GPR183 P32249 1/20 0.47
▸ GPR35 Q9HC97 1/20 0.47
▸ HTT P42858 5/20 0.45
▸ HPGD P15428 2/20 0.45
▸ ATM Q13315 1/20 0.45
▸ TSHR P16473 6/20 0.40
▸ CYP3A4 P08684 3/20 0.40
▸ CYP2C9 P11712 3/20 0.40
▸ CYP2C19 P33261 3/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ ALDH1A1 P00352 5/20 0.38

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 0.82 SMN1; SMN2 (0.50) SMN1; SMN2LMNANPSR1KMT2AMEN1
SCHEMBL12410744 0.80 TSHR (0.41) SMN1; SMN2LMNANPSR1KMT2AMEN1
SCHEMBL27619400 0.79 SMN1; SMN2 (0.46) SMN1; SMN2LMNANPSR1KMT2AMEN1
SCHEMBL11272569 0.79 SMN1; SMN2 (0.46) SMN1; SMN2LMNANPSR1KMT2AMEN1
SCHEMBL1627207 0.79 SMN1; SMN2 (0.46) SMN1; SMN2LMNANPSR1KMT2AMEN1
SCHEMBL3847199 0.79 SMN1; SMN2 (0.46) SMN1; SMN2LMNANPSR1KMT2AMEN1
SCHEMBL3845405 0.77 SMN1; SMN2 (0.43) SMN1; SMN2LMNANPSR1KMT2AMEN1
SCHEMBL19356550 0.77 SMN1; SMN2 (0.44) SMN1; SMN2LMNANPSR1KMT2AMEN1
SCHEMBL21511152 0.77 SMN1; SMN2 (0.57) SMN1; SMN2LMNANPSR1KMT2AMEN1
SCHEMBL7016487 0.77 SMN1; SMN2 (0.51) SMN1; SMN2LMNANPSR1KMT2AMEN1

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
EP-3385253-B1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING LANTHEUS MEDICAL IMAGING INC (US) 2021-04-07 — — EP disclosed
US-9718786-B2 Contrast agents for myocardial perfusion imaging LANTHEUS MEDICAL IMAGING, INC. (US) 2017-08-01 — — US disclosed
US-20160130235-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING LANTHEUS MEDICAL IMAGING, INC. (US) 2016-05-12 — — 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-20160130235-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING TNNI3, TNNT2, FABP3 SMN1; SMN2 2969/4885LMNA 3348/4885NPSR1 1076/4885

“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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