SCHEMBL1180489

SCHEMBL1180489

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cncc(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 4/20 0.36
MAPT P10636 2/20 0.35
SOS1 Q07889 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
ALOX15 P16050 1/20 0.34
CYP2C9 P11712 1/20 0.34
UCHL1 P09936 1/20 0.34

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
SCHEMBL29935256 1.00 POLB (0.42) POLBHCAR2SMN1; SMN2RAB9ANPC1
SCHEMBL17912392 0.93 POLB (0.42) POLBHCAR2SMN1; SMN2RAB9ANPC1
Formic Acid Methyl Ester SCHEMBL30581051 0.92 POLB (0.36) POLBHCAR2SMN1; SMN2RAB9ANPC1
Formic Acid Methyl Ester SCHEMBL29073621 0.92 POLB (0.36) POLBHCAR2SMN1; SMN2RAB9ANPC1
SCHEMBL13188227 0.86 RAB9A (0.39) POLBHCAR2SMN1; SMN2RAB9ANPC1
SCHEMBL29581626 0.86 RAB9A (0.39) POLBHCAR2SMN1; SMN2RAB9ANPC1
SCHEMBL30687154 0.85 SMN1; SMN2 (0.39) POLBHCAR2SMN1; SMN2RAB9ANPC1
SCHEMBL26939578 0.85 SMN1; SMN2 (0.39) POLBHCAR2SMN1; SMN2RAB9ANPC1
SCHEMBL15932924 0.83 HCAR2 (0.43) HCAR2CYP2C19KDM4EMEN1ALDH1A1
SCHEMBL21598711 0.81 HCAR2 (0.42) HCAR2KDM4EMEN1ALDH1A1KMT2A

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107406429-B Pyridazinone derivatives and their use in the treatment of cancer 基因泰克公司 2021-07-06 CN disclosed
US-10239861-B2 Therapeutic compounds and uses thereof GENETECH, INC. (US) 2019-03-26 US disclosed
US-10239861-B2 Therapeutic compounds and uses thereof GENETECH, INC. (US) 2019-03-26 US disclosed
EP-3242874-B1 PYRIDAZINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER GENENTECH INC (US) 2018-10-31 EP disclosed
US-20180037566-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-02-08 US disclosed
US-20180037566-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-02-08 US disclosed
US-20180037566-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-02-08 US disclosed
EP-3242874-A1 PYRIDAZINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER Genentech, Inc. (US) 2017-11-15 EP disclosed
EP-2307371-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2017-10-04 EP disclosed
EP-2307371-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2017-10-04 EP disclosed
EP-2307371-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2011-04-13 EP disclosed
US-20110082129-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-04-07 US disclosed
US-20110082129-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-04-07 US disclosed
US-20110082129-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-04-07 US disclosed
US-7888352-B2 Phosphoinositide 3-kinase inhibitor compounds and methods of use PIRAMED LIMITED (GB) 2011-02-15 US disclosed
US-20100261698-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-10-14 US disclosed
US-20100261698-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-10-14 US disclosed
US-20100261698-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-10-14 US disclosed
WO-2009156462-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-30 WO disclosed
WO-2009156462-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-30 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 (4 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-20110082129-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 POLB 745/4885HCAR2 1386/4885SMN1; SMN2 3700/4885
US-20100261698-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 POLB 745/4885HCAR2 1386/4885SMN1; SMN2 3700/4885
US-10239861-B2 Therapeutic compounds and uses thereof HDAC10, HDAC6, HDAC11 POLB 3225/4885HCAR2 2550/4885SMN1; SMN2 208/4885
US-20180037566-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF HDAC10, HDAC6, HDAC11 POLB 3225/4885HCAR2 2550/4885SMN1; SMN2 208/4885

“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.