SCHEMBL2093458

SCHEMBL2093458

CC(C)(C)c1cccc(NC(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.62
HDAC6 Q9UBN7 2/20 0.62
HDAC3 O15379 1/20 0.62
KCNK9 Q9NPC2 1/20 0.57
P2RX1 P51575 1/20 0.55
KCNJ6 P48051 1/20 0.55
KCNJ5 P48544 1/20 0.55
KCNJ3 P48549 1/20 0.55
RAF1 P04049 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 2/20 0.51
HTT P42858 2/20 0.51
RAB9A P51151 2/20 0.51
KCNK3 O14649 1/20 0.51
FFAR1 O14842 1/20 0.50
TP53 P04637 2/20 0.49
NR1H4 Q96RI1 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
THRB P10828 1/20 0.49

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
SCHEMBL30695893 1.00 HDAC8 (0.62) HDAC8HDAC6HDAC3KCNK9P2RX1
SCHEMBL23213561 0.87 MEN1 (0.50) HDAC8HDAC6HDAC3KCNK9MEN1
SCHEMBL32675964 0.87 RAF1 (0.65) HDAC8HDAC6HDAC3KCNK9P2RX1
SCHEMBL18233002 0.86 KMT2A (0.71) HDAC8HDAC6HDAC3KCNK9KCNJ6
SCHEMBL7541399 0.86 MEN1 (0.49) HDAC8HDAC6HDAC3KCNK9P2RX1
SCHEMBL17925886 0.86 MEN1 (0.57) MEN1KMT2AMAPTHTTRAB9A
SCHEMBL28923619 0.86 MEN1 (0.49) HDAC8HDAC6HDAC3KCNK9MEN1
SCHEMBL2093456 0.85 HDAC8 (0.62) HDAC8HDAC6HDAC3KCNK9P2RX1
SCHEMBL1689404 0.85 HDAC3 (0.62) HDAC8HDAC6HDAC3KCNK9P2RX1
Ammonia Solution, Strong SCHEMBL28873301 0.84 MAPT (0.55) MEN1KMT2AMAPTHTTRAB9A

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
EP-4323350-A1 ISOINDOLINONE COMPOUNDS Monte Rosa Therapeutics AG (CH) 2024-02-21 EP disclosed
US-20240051936-A1 ISOINDOLINONE COMPOUNDS MONTE ROSA THERAPEUTICS AG (CH) 2024-02-15 US disclosed
CN-117242060-A Isoindolinone compounds 蒙特罗萨医疗公司 2023-12-15 CN disclosed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO 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-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 HDAC8 1199/4885HDAC6 901/4885HDAC3 188/4885
US-20240051936-A1 ISOINDOLINONE COMPOUNDS CRBN, CDR2, POU2F2 HDAC8 2572/4885HDAC6 3104/4885HDAC3 1491/4885

“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.