SCHEMBL10205286

SCHEMBL10205286

CC(C)(C)c1cc(=O)n(C(C)(C)C)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.37
▸ LMNA P02545 3/20 0.37
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PI4KA P42356 1/20 0.33
▸ PI4K2B Q8TCG2 1/20 0.33
▸ PI4K2A Q9BTU6 1/20 0.33
▸ PI4KB Q9UBF8 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ HPGD P15428 2/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.31
▸ HTT P42858 2/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ RAB9A P51151 3/20 0.31
▸ TSHR P16473 2/20 0.31
▸ TP53 P04637 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.31

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
SCHEMBL24637828 0.85 ALDH1A1 (0.40) ALDH1A1LMNAMEN1KMT2A
SCHEMBL13101097 0.78 KDM4E (0.35) ALDH1A1LMNARAB9ATSHRTP53
SCHEMBL24659479 0.78 ALDH1A1 (0.42) ALDH1A1LMNAMEN1KMT2API4KA
SCHEMBL24659485 0.76 ALDH1A1 (0.44) ALDH1A1LMNAPI4KAPI4K2BPI4K2A
SCHEMBL10183153 0.68 MEN1 (0.41) ALDH1A1LMNAMEN1KMT2API4KA
SCHEMBL12556539 0.68 ALDH1A1 (0.37) ALDH1A1LMNAPI4KAPI4K2BPI4K2A
SCHEMBL17737477 0.68 ALDH1A1 (0.30) ALDH1A1LMNA
SCHEMBL12556533 0.64 ALDH1A1 (0.37) ALDH1A1LMNAPI4KAPI4K2BPI4K2A
SCHEMBL13988254 0.63 ALDH1A1 (0.36) ALDH1A1LMNAPI4KAPI4K2BPI4K2A
SCHEMBL2733626 0.63 MAPK13 (0.36) ALDH1A1LMNASMN1; SMN2TDP1

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
US-20120010185-A1 NEW PYRIDONE DERIVATES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-12 — — US disclosed
US-8067590-B2 Melanin-concentrating hormone (MCH) receptor antagonists; treating obesity, eating disorders, affective disorders, drug dependency; compounds are amino-functional pyridazin-3-one, 1H-pyridin-2-one or 3H-pyrimidin-4-one BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-29 — — US disclosed
US-20080255083-A1 NEW PYRIDONE DERIVATES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-16 — — 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 (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-20120010185-A1 NEW PYRIDONE DERIVATES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS MCHR1, MCHR2, GPR119 ALDH1A1 3225/4885LMNA 2295/4885MEN1 1855/4885
US-20080255083-A1 NEW PYRIDONE DERIVATES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS MCHR1, MCHR2, GPR119 ALDH1A1 3225/4885LMNA 2295/4885MEN1 1855/4885

“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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