SCHEMBL4284744

SCHEMBL4284744

CC(C)(C)NC(=O)c1cc(O)cc(C(=O)NC(C)(C)C)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 2/20 0.43
CA5A P35218 1/20 0.43
NQO2 P16083 1/20 0.42
POLB P06746 2/20 0.42
CYP2C9 P11712 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
APEX1 P27695 1/20 0.42
RIPK1 Q13546 1/20 0.40
HTT P42858 1/20 0.40
CYP2C19 P33261 1/20 0.40
IMPDH2 P12268 1/20 0.40

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
SCHEMBL570284 0.91 MEN1 (0.49) MEN1KMT2ALMNAMAPTPOLB
SCHEMBL15119392 0.83 LMNA (0.46) MEN1KMT2ALMNAMAPTCA5A
SCHEMBL22458909 0.83 KDM4E (0.44) MEN1KMT2ACA12CA1CA2
SCHEMBL18805869 0.83 HDAC8 (0.47) MEN1KMT2ALMNAMAPTPOLB
SCHEMBL29706234 0.83 CYP2C19 (0.47) MEN1KMT2ALMNAMAPTPOLB
SCHEMBL13611923 0.81 EGFR (0.50) MEN1KMT2ALMNAMAPTCYP2C9
SCHEMBL13139932 0.81 JAK2 (0.43) MEN1KMT2ALMNAMAPTPOLB
SCHEMBL22229471 0.81 MEN1 (0.43) MEN1KMT2ALMNAMAPTPOLB
SCHEMBL18820339 0.81 MEN1 (0.43) MEN1KMT2ALMNAMAPTPOLB
SCHEMBL12937013 0.81 MEN1 (0.43) MEN1KMT2ALMNAMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7906540-B2 Antivirals for HIV and AIDS; compounds are 2-1,2,4-triazolin-5-ones, substituted with aryl(oxy)methyl or benzylamino at position 3; use in combination with antivirals; treating drug resistance infections ROCHE PALO ALTO LLC (US) 2011-03-15 US disclosed
US-7608731-B2 Phenylacetic acid compounds ROCHE PALO ALTO LLC (US) 2009-10-27 US disclosed
US-20080249151-A1 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2008-10-09 US disclosed
US-20080108810-A1 Phenylacetic acid compounds ROCHE PALO ALTO LLC 2008-05-08 US disclosed
US-7291729-B2 Process for preparing 3-aryloxy-phenylacetic acid compounds ROCHE PALO ALTO LLC (US) 2007-11-06 US disclosed
EP-1737827-A1 PROCESS FOR PREPARING PYRIDAZINONE COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2007-01-03 EP disclosed
WO-2005100323-A1 PROCESS FOR PREPARING PYRIDAZINONE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-27 WO disclosed
US-20050234236-A1 Process for preparing pyridazinone compounds ROCHE PALO ALTO LLC 2005-10-20 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-20080108810-A1 Phenylacetic acid compounds CYP2A6, CYP2B6, DDC MEN1 3993/4885KMT2A 715/4885CA12 4367/4885
US-20080249151-A1 Non-nucleoside reverse transcriptase inhibitors QTRT1, RTF1, REV1 MEN1 4649/4885KMT2A 1583/4885CA12 4834/4885
US-20050234236-A1 Process for preparing pyridazinone compounds CYP2A6, CYP2B6, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 MEN1 3802/4885KMT2A 864/4885CA12 4650/4885

“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.