SCHEMBL22147094

SCHEMBL22147094

C[C@H](NC(=O)CNC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.41
▸ PTGS1 P23219 4/20 0.38
▸ PTGS2 P35354 4/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ HPGD P15428 3/20 0.36
▸ ALDH1A1 P00352 7/20 0.36
▸ MAPT P10636 3/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ HTT P42858 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ OPRM1 P35372 1/20 0.34
▸ OPRD1 P41143 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ LMNA P02545 2/20 0.33

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
SCHEMBL25681114 0.91 KMT2A (0.40) KMT2APTGS1PTGS2SMN1; SMN2HPGD
SCHEMBL17823174 0.91 PTGS1 (0.40) KMT2APTGS1PTGS2SMN1; SMN2HPGD
SCHEMBL17823173 0.91 PTGS1 (0.40) KMT2APTGS1PTGS2SMN1; SMN2HPGD
SCHEMBL22100721 0.88 KMT2A (0.40) KMT2APTGS1PTGS2SMN1; SMN2HPGD
SCHEMBL20198075 0.87 SMN1; SMN2 (0.39) KMT2APTGS1PTGS2SMN1; SMN2HPGD
SCHEMBL24864297 0.87 KMT2A (0.40) KMT2APTGS1PTGS2SMN1; SMN2HPGD
SCHEMBL23071798 0.86 MGLL (0.37) SMN1; SMN2RAB9AMGLL
SCHEMBL20864022 0.85 KMT2A (0.38) KMT2APTGS1PTGS2SMN1; SMN2HPGD
SCHEMBL21073943 0.85 KMT2A (0.38) KMT2APTGS1PTGS2SMN1; SMN2HPGD
SCHEMBL21073942 0.85 KMT2A (0.38) KMT2APTGS1PTGS2SMN1; SMN2HPGD

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-20200197524-A1 QUATERNIZED NICOTINAMIDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY INHIBITOR CONJUGATES SEATTLE GENETICS, INC. (US) 2020-06-25 — — 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-20200197524-A1 QUATERNIZED NICOTINAMIDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY INHIBITOR CONJUGATES NAMPT, NNMT, NADK KMT2A 1408/4885PTGS1 2780/4885PTGS2 2789/4885

“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.

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