SCHEMBL21998629

SCHEMBL21998629

NCCNC(=O)Nc1cnno1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.36
TERT O14746 2/20 0.33
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
CDK2 P24941 1/20 0.32
FLT4 P35916 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
ATG4B Q9Y4P1 1/20 0.31
EPHX2 P34913 1/20 0.31
ATM Q13315 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL21998625 0.73
SCHEMBL3816022 0.66 HTT (0.46) MAOBCDK2FLT4SMN1; SMN2EPHX2
SCHEMBL940021 0.65 ALDH1A1 (0.46) MAOBTERTCYP1A2TSHRNFKB1
SCHEMBL15856849 0.65 NTRK1 (0.37) MAOBMEN1KMT2ACA12CA1
Hydrochloric Acid SCHEMBL5497815 0.64 NTRK1 (0.37) MAOBMEN1KMT2ACA12CA1
SCHEMBL4406536 0.63 EPHX1 (0.62) MAOBTSHRSMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL18886424 0.63 ALDH1A1 (0.43) MAOBTERTCYP1A2TSHRNFKB1
SCHEMBL29084560 0.63 ALDH1A1 (0.43) MAOBTERTCYP1A2TSHRNFKB1
SCHEMBL4948326 0.62 KCNQ3 (0.50) MAOBCDK2FLT4SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL326005 0.62 EPHX1 (0.60) MAOBTSHRSMN1; SMN2MEN1KMT2A

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-20200147232-A1 BIOCONJUGATES WITH A CONTROLLED DEGREE OF CONJUGATION, THEIR PROCESS OF PREPARATION, AND THE REAGENTS FOR THEIR PREPARATION SYNDIVIA (FR) 2020-05-14 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-20200147232-A1 BIOCONJUGATES WITH A CONTROLLED DEGREE OF CONJUGATION, THEIR PROCESS OF PREPARATION, AND THE REAGENTS FOR THEIR PREPARATION FCGR1A, FCGR2A, FCGR3B MAOB 2043/4885TERT 4213/4885CYP1A2 3336/4885

“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.