SCHEMBL23869734

SCHEMBL23869734

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

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.35
TPSAB1 Q15661 1/20 0.33
CYP3A4 P08684 1/20 0.32
HDAC1 Q13547 4/20 0.31
HDAC2 Q92769 4/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SUCNR1 Q9BXA5 1/20 0.31

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
SCHEMBL23869736 0.87 SMN1; SMN2 (0.49) SMN1; SMN2TPSAB1CYP3A4HDAC1HDAC2
SCHEMBL23869737 0.72 CYP3A4 (0.43) SMN1; SMN2CYP3A4
SCHEMBL23869794 0.71 SMN1; SMN2 (0.53) SMN1; SMN2HDAC1HDAC2HPGDALOX15
SCHEMBL22821498 0.69 SMN1; SMN2 (0.38) SMN1; SMN2HDAC1HDAC2
SCHEMBL23869876 0.67 NPC1 (0.34)
SCHEMBL23869786 0.65 HTT (0.39) SMN1; SMN2CYP3A4HPGDTDP1
SCHEMBL15244706 0.63 TRPV3 (0.45) SUCNR1
SCHEMBL23869735 0.62 HTT (0.38) SMN1; SMN2HPGDTDP1
SCHEMBL10634876 0.60 HRH3 (0.53) CYP3A4HDAC1HDAC2ALOX15
SCHEMBL23869793 0.59 KDM4A (0.42)

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 4579/4885TPSAB1 109/4885CYP3A4 1012/4885

“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.