SCHEMBL18128755

SCHEMBL18128755

CCC(CSc1nc2ncnc(N)c2[nH]1)NC(=O)c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.48
▸ LMNA P02545 2/20 0.46
▸ APEX1 P27695 1/20 0.45
▸ ALDH1A1 P00352 5/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ ENPP1 P22413 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ ECE1 P42892 1/20 0.40
▸ HTT P42858 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ NUDT1 P36639 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39

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 0.90 LMNA (0.48) PKMLMNAAPEX1ALDH1A1NPSR1
SCHEMBL18128747 0.81 APEX1 (0.54) PKMLMNAAPEX1ALDH1A1NPSR1
SCHEMBL10870623 0.74 HDAC1 (0.48) LMNAALDH1A1NPC1SMN1; SMN2RAB9A
Niacinamide SCHEMBL6371048 0.74 APEX1 (0.71) PKMLMNAAPEX1ALDH1A1NPSR1
SCHEMBL24267375 0.72 ECE1 (0.60) LMNAALDH1A1NPSR1KDM4ENPC1
SCHEMBL29995369 0.72 ECE1 (0.60) LMNAALDH1A1NPSR1KDM4ENPC1
SCHEMBL10598003 0.72 LMNA (0.48) PKMLMNAAPEX1ALDH1A1NPSR1
SCHEMBL18128744 0.71 PI4KA (0.46) PKMLMNAALDH1A1HSD17B10SMN1; SMN2
SCHEMBL18128752 0.71 ALDH1A1 (0.42) PKMLMNAAPEX1ALDH1A1NPSR1
Niacinamide SCHEMBL3281893 0.69 ADORA2A (0.58) PKMLMNAAPEX1ALDH1A1NUDT1

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 PKM 2368/4885LMNA 196/4885APEX1 70/4885

“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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