SCHEMBL22606966

SCHEMBL22606966

O=C(NCc1nc2ccc(F)cc2[nH]1)C1CCN(Cc2c[nH]c3ccccc23)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 2/20 0.52
▸ ACHE P22303 2/20 0.52
▸ SOS1 Q07889 2/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ LMNA P02545 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ DRD2 P14416 2/20 0.46
▸ DRD4 P21917 2/20 0.46
▸ DRD3 P35462 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ ERCC1 P07992 1/20 0.45
▸ ERCC4 Q92889 1/20 0.45
▸ OPRM1 P35372 1/20 0.45
▸ OPRK1 P41145 1/20 0.45
▸ OPRL1 P41146 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL22606642 0.93 SOS1 (0.47) BCHEACHESOS1CYP2D6LMNA
SCHEMBL22607143 0.92 SOS1 (0.52) BCHEACHESOS1CYP2D6LMNA
SCHEMBL22606964 0.91 BCHE (0.53) BCHEACHESOS1CYP2D6ALDH1A1
SCHEMBL22607008 0.90 BCHE (0.58) BCHEACHESOS1CYP2D6MEN1
SCHEMBL22606967 0.87 SOS1 (0.46) BCHEACHESOS1CYP2D6LMNA
SCHEMBL22606664 0.86 BCHE (0.47) BCHEACHECYP2D6LMNA
SCHEMBL22606965 0.84 SOS1 (0.48) BCHEACHESOS1ERCC1ERCC4
SCHEMBL22607144 0.83 SOS1 (0.53) BCHEACHESOS1CYP2D6OPRM1
SCHEMBL22606674 0.83 BCHE (0.54) BCHEACHESOS1CYP2D6ALDH1A1
SCHEMBL22606646 0.83 SOS1 (0.54) BCHEACHESOS1CYP2D6DRD2

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-20200339537-A1 NOVEL COMPOUND AS INHIBITOR AGAINST BINDING OF PF34 PROTEIN TO NEDD4-1 PROTEIN AND USE THEREOF ENHANCEDBIO, INC. (KR) 2020-10-29 — — 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-20200339537-A1 NOVEL COMPOUND AS INHIBITOR AGAINST BINDING OF PF34 PROTEIN TO NEDD4-1 PROTEIN AND USE THEREOF NEDD4, PFDN1, PF4 BCHE 4287/4885ACHE 3500/4885SOS1 1806/4885

“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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