SCHEMBL31428486

SCHEMBL31428486

Cc1cc(CN2CCOCC2=O)c2ccccc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 5/20 0.54
HCRTR1 O43613 1/20 0.46
HCRTR2 O43614 1/20 0.46
ADAM17 P78536 1/20 0.46
KDM4E B2RXH2 2/20 0.45
PKM P14618 2/20 0.45
HSD17B10 Q99714 2/20 0.45
GAA P10253 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
USP2 O75604 2/20 0.42
MOK Q9UQ07 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL24975491 1.00 NCF1 (0.54) NCF1HCRTR1HCRTR2ADAM17KDM4E
SCHEMBL31428545 0.83 GRM2 (0.40) NCF1KDM4EPKMGAAMAPT
SCHEMBL24975640 0.83 GRM2 (0.40) NCF1KDM4EPKMGAAMAPT
SCHEMBL31428728 0.79 NCF1 (0.62) NCF1KDM4EGAAMAPTALDH1A1
SCHEMBL24975496 0.79 NCF1 (0.62) NCF1KDM4EGAAMAPTALDH1A1
SCHEMBL31428647 0.73 MAPT (0.40) KDM4EPKMMAPTALDH1A1SMN1; SMN2
SCHEMBL1553262 0.72 L3MBTL1 (0.54) CYP1A2CYP3A4CYP2D6HPGDLMNA
SCHEMBL3996399 0.71 BCHE (0.55) HCRTR2KDM4ECYP2D6MAPTALDH1A1
SCHEMBL514643 0.71 SIRT2 (0.42) GCK
SCHEMBL5093588 0.71 NCF1 (1.00) NCF1KDM4EPKMHSD17B10GAA

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-20250091994-A1 RAS/RAF BINDING INHIBITOR COMPOUND NATIONAL UNIVERSITY CORPORATION KOBE UNIVERSITY (JP) 2025-03-20 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-20250091994-A1 RAS/RAF BINDING INHIBITOR COMPOUND BRAF, RAF1, NRAS NCF1 708/4885HCRTR1 4049/4885HCRTR2 4550/4885

“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.