SCHEMBL22493260

SCHEMBL22493260

NCCNC(=O)c1nnco1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.41
CYP1A2 P05177 2/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
MEN1 O00255 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
KMT2A Q03164 1/20 0.40
TERT O14746 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CES1 P23141 1/20 0.36
DAGLA Q9Y4D2 1/20 0.36
CHEK1 O14757 1/20 0.32
CHEK2 O96017 1/20 0.32
NQO2 P16083 1/20 0.32
MALT1 Q9UDY8 1/20 0.32

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
SCHEMBL28898084 0.80
SCHEMBL22268001 0.79 SMN1; SMN2 (0.43) MEN1KMT2AKDM4ECYP3A4
SCHEMBL21542356 0.66 HIF1A (0.67) CA12CA1CA2CA4MEN1
Hydrochloric Acid SCHEMBL10709008 0.66 KDM4E (0.48) MAOBCYP1A2TSHRNFKB1CA12
SCHEMBL20734150 0.66 XPO1 (0.47) CES1DAGLA
SCHEMBL3861146 0.65 MAOB (0.81) MAOBCYP1A2TSHRNFKB1MEN1
SCHEMBL3322439 0.65 MAOB (0.62) MAOBCYP1A2TSHRNFKB1MEN1
SCHEMBL21469421 0.65
Hydrochloric Acid SCHEMBL10710103 0.64 MAOB (0.50) MAOBCYP1A2TSHRNFKB1CA12
SCHEMBL20663408 0.64 CA12 (0.37) MAOBCYP1A2TSHRNFKB1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11001592-B2 DNA polymerase IIIC inhibitors and use thereof ACURX PHARMACEUTICALS, LLC (US) 2021-05-11 US disclosed
US-20200308179-A1 DNA Polymerase IIIC Inhibitors and Use Thereof Acurx Pharmaceuticals, Inc. 2020-10-01 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-20200308179-A1 DNA Polymerase IIIC Inhibitors and Use Thereof POLI, POLN, POLB MAOB 1413/4885CYP1A2 2630/4885TSHR 4644/4885
US-11001592-B2 DNA polymerase IIIC inhibitors and use thereof POLI, POLN, POLB MAOB 1413/4885CYP1A2 2630/4885TSHR 4644/4885

“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.