SCHEMBL22607101

SCHEMBL22607101

O=C(NCc1nc2ccccc2o1)C1CCN(Cc2c[nH]c3ccc(C(F)(F)F)cc23)CC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SOS1 Q07889 3/20 0.51
▸ BCHE P06276 4/20 0.44
▸ ACHE P22303 4/20 0.44
▸ SRPK1 Q96SB4 3/20 0.42
▸ LMNA P02545 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ UBE2M P61081 1/20 0.41
▸ DCUN1D1 Q96GG9 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL22606646 0.84 SOS1 (0.54) SOS1BCHEACHESRPK1MAPT
SCHEMBL22606645 0.82 SOS1 (0.52) SOS1BCHEACHESRPK1MAPT
SCHEMBL22606778 0.80 SOS1 (0.50) SOS1BCHEACHESRPK1CYP2D6
SCHEMBL22606643 0.79 SOS1 (0.48) SOS1BCHEACHE
SCHEMBL22606648 0.79 SOS1 (0.48) SOS1BCHEACHESRPK1UBE2M
SCHEMBL22606641 0.79 SOS1 (0.47) SOS1BCHEACHESRPK1CYP2D6
SCHEMBL22606653 0.78 LMNA (0.47) SOS1BCHEACHELMNA
SCHEMBL22606647 0.78 SOS1 (0.49) SOS1BCHEACHESRPK1MAPT
SCHEMBL22606654 0.77 BCHE (0.49) SOS1BCHEACHESRPK1CYP2D6
SCHEMBL22606974 0.77 CHRM4 (0.49) ACHELMNAMAPTALDH1A1

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 1806/4885BCHE 4287/4885ACHE 3500/4885

“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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