SCHEMBL8534916

SCHEMBL8534916

N#Cc1c(C2CCCC2)cc(-c2ccc(Oc3ccccc3)cc2)nc1I

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
GLA P06280 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 4/20 0.39
NPSR1 Q6W5P4 3/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 3/20 0.39
GAA P10253 2/20 0.39
MITF O75030 1/20 0.39
PAX8 Q06710 1/20 0.39
CHEK2 O96017 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
BTK Q06187 2/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL8401178 0.87 L3MBTL1 (0.48) HPGDSMN1; SMN2GLAKMT2AMEN1
SCHEMBL8535627 0.82 ALDH1A1 (0.52) HPGDSMN1; SMN2GLAKMT2AMEN1
SCHEMBL8534958 0.77 KDM4E (0.51) HPGDGLAKMT2AMEN1POLB
SCHEMBL8401168 0.74 ALDH1A1 (0.53) HPGDGLAKMT2AMEN1KDM4E
SCHEMBL8534913 0.73 ATM (0.48) HPGDGLAKMT2AMEN1KDM4E
SCHEMBL8401167 0.70 BTK (0.38) TDP1BTKMCL1XDHTNK2
SCHEMBL8401218 0.70 L3MBTL1 (0.43) SMN1; SMN2KMT2AMEN1KDM4EALDH1A1
SCHEMBL8401200 0.70 L3MBTL1 (0.49) HPGDSMN1; SMN2GLAKMT2AMEN1
SCHEMBL18780332 0.70 BTK (0.57) BTKMCL1XDHTNK2LCK
SCHEMBL30050612 0.69 BTK (0.39) HPGDSMN1; SMN2KMT2AMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129852-A1 AZAINDAZOLES AS KINASE INHIBITORS AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2012-05-24 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 (1 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-20120129852-A1 AZAINDAZOLES AS KINASE INHIBITORS AND USE THEREOF BTK, ABL1, JAK1 HPGD 4271/4885SMN1; SMN2 4433/4885GLA 4297/4885

“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.