SCHEMBL22606967

SCHEMBL22606967

O=C(NCc1nc2cc(F)c(F)cc2[nH]1)C1CCN(Cc2c[nH]c3ccc(F)cc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SOS1 Q07889 1/20 0.46
▸ MPO P05164 1/20 0.46
▸ BCHE P06276 4/20 0.43
▸ ACHE P22303 4/20 0.43
▸ ERCC1 P07992 1/20 0.43
▸ ERCC4 Q92889 1/20 0.43
▸ OPRM1 P35372 1/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ OPRL1 P41146 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ CYP2D6 P10635 1/20 0.40
▸ SPR P35270 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NOTUM Q6P988 2/20 0.39
▸ MTNR1A P48039 1/20 0.39

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) SOS1MPOBCHEACHEERCC1
SCHEMBL22606964 0.91 BCHE (0.53) SOS1BCHEACHEALDH1A1CYP2D6
SCHEMBL22606648 0.90 SOS1 (0.48) SOS1BCHEACHE
SCHEMBL22607143 0.90 SOS1 (0.52) SOS1MPOBCHEACHEERCC1
SCHEMBL22606965 0.89 SOS1 (0.48) SOS1MPOBCHEACHEERCC1
SCHEMBL22606643 0.87 SOS1 (0.48) SOS1MPOBCHEACHE
SCHEMBL22606966 0.87 BCHE (0.52) SOS1BCHEACHEERCC1ERCC4
SCHEMBL22606664 0.86 BCHE (0.47) BCHEACHELMNACYP2D6
SCHEMBL22607141 0.84 SOS1 (0.51) SOS1BCHEACHEOPRM1OPRK1
SCHEMBL22606795 0.82 SOS1 (0.48) SOS1BCHEACHESMN1; SMN2CYP2D6

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 SOS1 1806/4885MPO 4733/4885BCHE 4287/4885

“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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