SCHEMBL12410744

SCHEMBL12410744

Cc1cnn(C(C)(C)C)c(=O)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.41
▸ CYP3A4 P08684 4/20 0.41
▸ CYP2C9 P11712 4/20 0.41
▸ CYP2C19 P33261 3/20 0.41
▸ CYP2D6 P10635 3/20 0.41
▸ SMN1; SMN2 Q16637 8/20 0.40
▸ CYP1A2 P05177 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ LMNA P02545 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.37
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ GALR3 O60755 1/20 0.36
▸ NR2F2 P24468 1/20 0.36
▸ GPR183 P32249 1/20 0.36
▸ GPR35 Q9HC97 1/20 0.36
▸ HTT P42858 2/20 0.35

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
SCHEMBL3845405 0.80 SMN1; SMN2 (0.43) TSHRCYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL9235153 0.80 SMN1; SMN2 (0.38) TSHRCYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL8550018 0.80 SMN1; SMN2 (0.38) TSHRCYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL17738012 0.80 SMN1; SMN2 (0.50) TSHRCYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL9237010 0.80 SMN1; SMN2 (0.38) TSHRCYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL23188748 0.77 TSHR (0.41) TSHRCYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL10372186 0.77 MEN1 (0.42) TSHRCYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL23188713 0.76 TSHR (0.40) TSHRCYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL12960396 0.73 CYP1A2 (0.37) TSHRCYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL14012593 0.72 TSHR (0.39) TSHRCYP3A4CYP2C9CYP2C19CYP2D6

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 5 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-10336735-B2 Small molecule inhibitors of fibrosis THE SCRIPPS RESEARCH INSTITUTE (US) 2019-07-02 — — US disclosed
US-20170362211-A1 SMALL MOLECULE INHIBITORS OF FIBROSIS THE SCRIPPS RESEARCH INSTITUTE 2017-12-21 — — US disclosed
US-8497278-B2 Imidazo[1,2-a]pyridine compounds SUNOVION PHARMACEUTICALS INC. (US) 2013-07-30 — — US disclosed
US-20110166146-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS SUNOVION PHARMACEUTICALS INC. (US) 2011-07-07 — — 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 (3 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-20110166146-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS PAICS, ITPA, DPYD TSHR 2169/4885CYP3A4 41/4885CYP2C9 185/4885
US-10336735-B2 Small molecule inhibitors of fibrosis MMP1, COL2A1, MMP8 TSHR 4267/4885CYP3A4 4660/4885CYP2C9 4840/4885
US-20170362211-A1 SMALL MOLECULE INHIBITORS OF FIBROSIS MMP1, COL2A1, MMP8 TSHR 4267/4885CYP3A4 4660/4885CYP2C9 4840/4885

“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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