SCHEMBL20379635

SCHEMBL20379635

Cn1ccc2c([N+](=O)[O-])cnc-2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.37
▸ GAA P10253 2/20 0.36
▸ ALDH1A1 P00352 6/20 0.35
▸ MAPT P10636 5/20 0.35
▸ CYP1A2 P05177 3/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ HTR7 P34969 1/20 0.34
▸ RAB9A P51151 3/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ LMNA P02545 3/20 0.33
▸ F2RL3 Q96RI0 1/20 0.33
▸ POLB P06746 2/20 0.33
▸ THRB P10828 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ PIN1 Q13526 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL18230019 0.76 CYP2E1 (0.50) GAAALDH1A1MAPTCYP2C19CYP2C9
SCHEMBL23107329 0.72 MAOA (0.43) MAOACYP1A2CYP2C19CYP2C9
SCHEMBL20379646 0.72 MAOA (0.43) MAOACYP2C19CYP2C9
SCHEMBL23103531 0.71 MAOA (0.40) MAOACYP2C19CYP2C9
SCHEMBL23104778 0.70 MAOA (0.42) MAOACYP2C19CYP2C9
SCHEMBL23114543 0.69 MAOA (0.41) MAOACYP2C19CYP2C9
SCHEMBL25296548 0.65 SCN4A (0.47) GAAALDH1A1MAPTHTR7LMNA
SCHEMBL1354417 0.65 — —
SCHEMBL22634571 0.65 CYP2C9 (0.44) GAAALDH1A1MAPTCYP1A2CYP2C19
SCHEMBL29397913 0.65 CYP2C9 (0.44) GAAALDH1A1MAPTCYP1A2CYP2C19

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3568390-B1 SMALL MOLECULE ACTIVATORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) AND USES THEREOF SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INST (US) 2024-03-06 — — EP disclosed
US-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2023-11-07 — — US disclosed
US-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2023-11-07 — — US disclosed
US-20230116770-A1 SMALL MOLECULE ACTIVATORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute 2023-04-13 — — US disclosed
US-11452717-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2022-09-27 — — US disclosed
US-20210161873-A1 SMALL MOLECULE ACTIVATORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute 2021-06-03 — — US disclosed
EP-3568390-A1 SMALL MOLECULE ACTIVATORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2019-11-20 — — EP disclosed
WO-2018132372-A1 SMALL MOLECULE ACTIVATORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2018-07-19 — — WO 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 (4 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-11452717-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof NAMPT, NAPRT, NNT MAOA 561/4885GAA 1015/4885ALDH1A1 1943/4885
US-20210161873-A1 SMALL MOLECULE ACTIVATORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) AND USES THEREOF NAMPT, NAPRT, NNT MAOA 561/4885GAA 1015/4885ALDH1A1 1943/4885
US-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof NAMPT, NAPRT, NNT MAOA 561/4885GAA 1015/4885ALDH1A1 1943/4885
US-20230116770-A1 SMALL MOLECULE ACTIVATORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) AND USES THEREOF NAMPT, NAPRT, NNT MAOA 561/4885GAA 1015/4885ALDH1A1 1943/4885

“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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