SCHEMBL18128747

SCHEMBL18128747

Nc1ncnc2nc(SCCNC(=O)c3cccnc3)[nH]c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APEX1 P27695 1/20 0.54
▸ ALDH1A1 P00352 5/20 0.53
▸ SMN1; SMN2 Q16637 4/20 0.53
▸ NPC1 O15118 2/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.52
▸ LMNA P02545 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.46
▸ HTT P42858 3/20 0.45
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ENPP1 P22413 1/20 0.43
▸ IKBKE Q14164 1/20 0.43
▸ TBK1 Q9UHD2 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42

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
SCHEMBL18128748 0.83 LMNA (0.48) APEX1ALDH1A1SMN1; SMN2NPC1RAB9A
Niacinamide SCHEMBL6371048 0.82 APEX1 (0.71) APEX1ALDH1A1SMN1; SMN2NPSR1LMNA
SCHEMBL18128755 0.81 PKM (0.48) APEX1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL10870623 0.78 HDAC1 (0.48) ALDH1A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL18128752 0.74 ALDH1A1 (0.42) APEX1ALDH1A1SMN1; SMN2NPSR1LMNA
SCHEMBL18128744 0.72 PI4KA (0.46) ALDH1A1SMN1; SMN2RAB9ALMNAIKBKE
Niacinamide SCHEMBL8508206 0.72 F7 (0.54) APEX1ALDH1A1LMNA
Niacinamide SCHEMBL8510793 0.71 APEX1 (0.52) APEX1ALDH1A1SMN1; SMN2NPC1RAB9A
Niacinamide SCHEMBL3281893 0.70 ADORA2A (0.58) APEX1ALDH1A1LMNAPKM
SCHEMBL6524612 0.70 RAB9A (0.64) ALDH1A1SMN1; SMN2NPC1RAB9ACYP2C9

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-9926340-B2 NAD analogs and methods of using said NAD analogs in determining ribosylation of proteins with PARP mutants THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-03-27 — — US disclosed
US-20160299141-A1 NAD ANALOGS AND METHODS OF USING SAID NAD ANALOGS IN DETERMINING RIBOSYLATION OF PROTEINS WITH PARP MUTANTS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2016-10-13 — — 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-20160299141-A1 NAD ANALOGS AND METHODS OF USING SAID NAD ANALOGS IN DETERMINING RIBOSYLATION OF PROTEINS WITH PARP MUTANTS PARP11, PARP14, PARP15 APEX1 70/4885ALDH1A1 1282/4885SMN1; SMN2 2766/4885

“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.

Send feedback