SCHEMBL23869736

SCHEMBL23869736

NCCc1nnc(-c2nccc(CNC(=O)CCCC(=O)O)n2)nn1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.49
HPGD P15428 2/20 0.36
ALOX15 P16050 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TPSAB1 Q15661 1/20 0.36
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 3/20 0.34
CYP3A4 P08684 1/20 0.34
HDAC1 Q13547 3/20 0.34
HDAC2 Q92769 3/20 0.34
SUCNR1 Q9BXA5 1/20 0.33
POLB P06746 1/20 0.32
ATM Q13315 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
SCHEMBL23869734 0.87 SMN1; SMN2 (0.35) SMN1; SMN2HPGDALOX15TDP1TPSAB1
SCHEMBL23869794 0.84 SMN1; SMN2 (0.53) SMN1; SMN2HPGDALOX15TDP1LMNA
SCHEMBL23869737 0.81 CYP3A4 (0.43) SMN1; SMN2GAAHTTCYP3A4POLB
SCHEMBL4470730 0.69 SMN1; SMN2 (0.61) SMN1; SMN2HPGDALOX15TDP1LMNA
SCHEMBL13978026 0.68 SMN1; SMN2 (0.55) SMN1; SMN2TPSAB1LMNAGAAHTT
SCHEMBL13978267 0.68 SMN1; SMN2 (0.62) SMN1; SMN2HPGDALOX15TDP1LMNA
SCHEMBL9385223 0.67 SMN1; SMN2 (1.00) SMN1; SMN2HPGDALOX15TDP1LMNA
SCHEMBL23869767 0.66 CA1 (0.41) GAA
SCHEMBL23869786 0.66 HTT (0.39) SMN1; SMN2HPGDTDP1LMNATSHR
SCHEMBL23869882 0.66 SMN1; SMN2 (0.43) SMN1; SMN2HDAC1HDAC2

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-20210299286-A1 TETRAZINES FOR HIGH CLICK CONJUGATION YIELD IN VIVO AND HIGH CLICK RELEASE YIELD TAGWORKS PHARMACEUTICALS B.V. (NL) 2021-09-30 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-20210299286-A1 TETRAZINES FOR HIGH CLICK CONJUGATION YIELD IN VIVO AND HIGH CLICK RELEASE YIELD FCER2, SQLE, TTL SMN1; SMN2 4579/4885HPGD 2315/4885ALOX15 169/4885

“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.