SCHEMBL3419983

SCHEMBL3419983

O=C(Cc1cccc(Br)c1)N1CCCC1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.68
HPGD P15428 3/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
NPC1 O15118 2/20 0.64
KDM4E B2RXH2 1/20 0.63
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
TDP1 Q9NUW8 2/20 0.53
ECE2 P0DPD6 1/20 0.52
ALDH1A1 P00352 5/20 0.50
HTT P42858 2/20 0.50
LMNA P02545 1/20 0.50
GPR183 P32249 2/20 0.48
GAA P10253 1/20 0.48
ALOX12 P18054 1/20 0.48
MAPT P10636 1/20 0.48
SIGMAR1 Q99720 1/20 0.47
TP53 P04637 1/20 0.46

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
SCHEMBL23565681 0.98 HPGD (0.67) POLBHPGDSMN1; SMN2NPC1KDM4E
SCHEMBL2376700 0.86 KDM4E (0.62) POLBHPGDSMN1; SMN2NPC1KDM4E
SCHEMBL5253450 0.86 KMT2A (0.61) POLBKDM4EMEN1KMT2AALDH1A1
SCHEMBL2378118 0.84 HSD11B1 (0.69) POLBHPGDSMN1; SMN2KDM4EMEN1
SCHEMBL2377824 0.83 KDM4E (0.65) POLBHPGDKDM4EMEN1KMT2A
SCHEMBL1799311 0.81 POLB (0.68) POLBHPGDSMN1; SMN2NPC1KDM4E
SCHEMBL10911138 0.81 POLB (0.68) POLBSMN1; SMN2MEN1KMT2AECE2
SCHEMBL1881235 0.81 POLB (0.68) POLBHPGDSMN1; SMN2NPC1KDM4E
SCHEMBL14234097 0.81 POLB (0.72) POLBHPGDSMN1; SMN2NPC1KDM4E
SCHEMBL10196666 0.81 POLB (1.00) POLBHPGDSMN1; SMN2NPC1MEN1

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 4 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
WO-2010052448-A2 FUSED PYRAZINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2010-05-14 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-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 POLB 176/4885HPGD 2355/4885SMN1; SMN2 1011/4885
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 POLB 176/4885HPGD 2355/4885SMN1; SMN2 1011/4885

“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.