SCHEMBL26315906

SCHEMBL26315906

N=C(N)SC[C@H]1C[C@@H](SC(=N)N)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.37
HRH4 Q9H3N8 2/20 0.37
POLB P06746 1/20 0.35
NOS1 P29475 5/20 0.34
CYP2C19 P33261 4/20 0.34
NOS3 P29474 4/20 0.34
NOS2 P35228 4/20 0.34
TSHR P16473 2/20 0.34
CYP2D6 P10635 1/20 0.34
TDP1 Q9NUW8 3/20 0.33
MAPT P10636 3/20 0.33
KMT2A Q03164 2/20 0.33
BLM P54132 1/20 0.33
LMNA P02545 2/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
CYP3A4 P08684 1/20 0.32
APEX1 P27695 1/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 2/20 0.31

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
SCHEMBL26313449 0.86 POLB (0.36) CYP1A2HRH4POLBNOS1CYP2C19
SCHEMBL26313704 0.84 CYP1A2 (0.46) CYP1A2HRH4POLBNOS1CYP2C19
SCHEMBL26315907 0.84 CYP1A2 (0.46) CYP1A2HRH4POLBNOS1CYP2C19
SCHEMBL26313452 0.75 NOS1 (0.39) CYP1A2HRH4POLBNOS1CYP2C19
SCHEMBL26315830 0.75 CYP1A2 (0.46) CYP1A2HRH4POLBNOS1CYP2C19
SCHEMBL26315832 0.75 CYP1A2 (0.46) CYP1A2HRH4POLBNOS1CYP2C19
SCHEMBL26313705 0.75 CYP1A2 (0.46) CYP1A2HRH4POLBNOS1CYP2C19
SCHEMBL26315909 0.73 HRH4 (0.46) CYP1A2HRH4POLBNOS1CYP2C19
SCHEMBL11940548 0.71 CYP1A2 (0.33) CYP1A2HRH4POLBNOS1CYP2C19
SCHEMBL3762817 0.70 EPHX1 (0.43) CYP1A2HRH4POLBNOS1CYP2C19

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-20230286913-A1 INHIBITORS OF NITRIC OXIDE SYNTHASES (NOS), PHARMACEUTICAL PRODUCTS THEREOF, AND METHODS THEREOF Gacter Inc. (US) 2023-09-14 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-20230286913-A1 INHIBITORS OF NITRIC OXIDE SYNTHASES (NOS), PHARMACEUTICAL PRODUCTS THEREOF, AND METHODS THEREOF NOS1, NOS3, NOS2 CYP1A2 230/4885HRH4 316/4885POLB 3354/4885

“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.