SCHEMBL20346367

SCHEMBL20346367

CON(C)C(=O)Cc1cccnc1F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NAPRT Q6XQN6 1/20 0.44
▸ MMP2 P08253 2/20 0.41
▸ MMP9 P14780 2/20 0.41
▸ MMP8 P22894 2/20 0.41
▸ MMP13 P45452 2/20 0.41
▸ LMNA P02545 2/20 0.40
▸ HDAC4 P56524 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ POLQ O75417 2/20 0.36
▸ POLB P06746 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
SCHEMBL3113809 0.84 CASP3 (0.41) LMNAHDAC4HDAC6L3MBTL1NPC1
SCHEMBL13496135 0.84 ALDH1A1 (0.41) HDAC4HDAC6L3MBTL1NPC1KDM4E
SCHEMBL1668464 0.80 ALDH1A1 (0.45) LMNAL3MBTL1KDM4EPOLQPOLB
SCHEMBL18505712 0.77 HDAC4 (0.37) LMNAHDAC4HDAC6KDM4E
SCHEMBL2410091 0.77 NAPRT (0.52) NAPRTMMP2MMP9MMP8MMP13
SCHEMBL9370451 0.77 MAPT (0.49) NAPRTLMNAL3MBTL1NPC1GLA
SCHEMBL781008 0.76 NAPRT (0.56) NAPRTLMNAL3MBTL1NPC1TSHR
SCHEMBL9668925 0.75 KDM4E (0.62) NAPRTMMP2MMP9MMP8MMP13
SCHEMBL29994018 0.75 ATM (0.37) HDAC4HDAC6L3MBTL1TSHRCYP1A2
SCHEMBL706704 0.74 CTBP2 (0.46) LMNANPC1TSHRKDM4ECYP1A2

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-10364208-B2 Oxidative coupling of aryl boron reagents with SP3-carbon nucleophiles, and ambient decarboxylative arylation of malonate half-esters via oxidative catalysis THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2019-07-30 — — US disclosed
US-20180186721-A1 OXIDATIVE COUPLING OF ARYL BORON REAGENTS WITH SP3-CARBON NUCLEOPHILES, AND AMBIENT DECARBOXYLATIVE ARYLATION OF MALONATE HALF-ESTERS VIA OXIDATIVE CATALYSIS THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2018-07-05 — — US disclosed
US-20180186721-A1 OXIDATIVE COUPLING OF ARYL BORON REAGENTS WITH SP3-CARBON NUCLEOPHILES, AND AMBIENT DECARBOXYLATIVE ARYLATION OF MALONATE HALF-ESTERS VIA OXIDATIVE CATALYSIS THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2018-07-05 — — 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-10364208-B2 Oxidative coupling of aryl boron reagents with SP3-carbon nucleophiles, and ambient decarboxylative arylation of malonate half-esters via oxidative catalysis SOD1, AOC3, CBR3 NAPRT 141/4885MMP2 4529/4885MMP9 3897/4885
US-20180186721-A1 OXIDATIVE COUPLING OF ARYL BORON REAGENTS WITH SP3-CARBON NUCLEOPHILES, AND AMBIENT DECARBOXYLATIVE ARYLATION OF MALONATE HALF-ESTERS VIA OXIDATIVE CATALYSIS SOD1, AOC3, CBR3 NAPRT 141/4885MMP2 4529/4885MMP9 3897/4885

“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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