SCHEMBL25998638

SCHEMBL25998638

N#CC(c1ccc(N=O)cc1)c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 7/20 0.39
HTT P42858 3/20 0.39
SLC6A3 Q01959 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
LMNA P02545 3/20 0.38
MAPT P10636 2/20 0.38
ATM Q13315 2/20 0.38
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
TACR3 P29371 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ABCB11 O95342 1/20 0.35
ESR1 P03372 1/20 0.35

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
SCHEMBL637183 0.82 SLC6A2 (0.57) L3MBTL1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL10370952 0.80 ALDH1A1 (0.49) L3MBTL1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL11729549 0.80 ALDH1A1 (0.53) L3MBTL1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL11631375 0.80 L3MBTL1 (0.62) L3MBTL1SMN1; SMN2GAAALDH1A1HTT
Hydrochloric Acid SCHEMBL28544066 0.78 L3MBTL1 (0.60) L3MBTL1SMN1; SMN2GAAALDH1A1HTT
SCHEMBL5429300 0.78 SLC6A2 (0.48) SMN1; SMN2GAAMEN1KMT2AALDH1A1
SCHEMBL6435879 0.77 MAPT (0.49) L3MBTL1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL11632012 0.76 L3MBTL1 (0.43) L3MBTL1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL11632105 0.76 ALDH1A1 (0.56) L3MBTL1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL11625524 0.76 GAA (0.48) L3MBTL1SMN1; SMN2GAAMEN1KMT2A

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-20230263791-A1 STRUCTURAL ANALOGUES OF METHYLPHENIDATE AS PARKINSON'S DISEASE-MODIFYING AGENTS UNIVERSITA' DEGLI STUDI DI MILANO (IT) 2023-08-24 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-20230263791-A1 STRUCTURAL ANALOGUES OF METHYLPHENIDATE AS PARKINSON'S DISEASE-MODIFYING AGENTS SNCA, PARK7, SYNJ1 L3MBTL1 4474/4885SMN1; SMN2 134/4885GAA 179/4885

“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.