SCHEMBL25569692

SCHEMBL25569692

Cc1cc(N(C)P)ncc1C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 6/20 0.53
SIRT3 Q9NTG7 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41
GABRA6 Q16445 1/20 0.41
GABRG1 Q8N1C3 1/20 0.41
GABRG3 Q99928 1/20 0.41
GABRQ Q9UN88 1/20 0.41
MKNK1 Q9BUB5 1/20 0.37

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
SCHEMBL3904886 0.86 NNMT (0.56) NNMTSIRT3TDP1GABRPGABRD
SCHEMBL11733115 0.79 NNMT (0.51) NNMTSIRT3TDP1GABRPGABRD
SCHEMBL25569690 0.76 NNMT (0.52) NNMTSIRT3MKNK1MKNK2SMN1; SMN2
SCHEMBL30197143 0.74 NNMT (0.62) NNMTSIRT3TDP1GABRPGABRD
SCHEMBL5009904 0.74 NNMT (0.62) NNMTSIRT3TDP1GABRPGABRD
Hydrochloric Acid SCHEMBL5010724 0.73 NNMT (0.61) NNMTSIRT3TDP1GABRPGABRD
SCHEMBL22291660 0.72 NNMT (0.59) NNMTSIRT3TDP1GABRPGABRD
SCHEMBL1536039 0.72 NNMT (0.59) NNMTSIRT3TDP1GABRPGABRD
SCHEMBL30096979 0.72 NNMT (0.59) NNMTSIRT3TDP1GABRPGABRD
SCHEMBL17277757 0.70 GABRP (0.41) NNMTTDP1GABRPGABRDGABRA1

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-20230159470-A1 INHIBITORS OF NICOTINAMIDE N-METHYLTRANSFERASE, COMPOSITIONS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2023-05-25 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-20230159470-A1 INHIBITORS OF NICOTINAMIDE N-METHYLTRANSFERASE, COMPOSITIONS AND USES THEREOF NNMT, NNT, NAMPT NNMT 1/4885SIRT3 93/4885TDP1 1252/4885

“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.