SCHEMBL22607010

SCHEMBL22607010

O=C(NCc1nc2ccccc2[nH]1)N1CCN(Cc2c[nH]c3ccc(Cl)cc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.49
▸ SOS1 Q07889 7/20 0.48
▸ DRD4 P21917 4/20 0.47
▸ LMNA P02545 3/20 0.45
▸ HTT P42858 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ DRD2 P14416 2/20 0.43
▸ DRD3 P35462 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL22607055 0.90 MPO (0.46) SOS1LMNAKDM4E
SCHEMBL22607023 0.90 SOS1 (0.49) PTGS2SOS1LMNASMN1; SMN2
SCHEMBL22584717 0.88 SOS1 (0.44) SOS1LMNAKDM4E
SCHEMBL22607144 0.86 SOS1 (0.53) PTGS2SOS1
SCHEMBL22607021 0.83 SOS1 (0.46) SOS1DRD4LMNAHTTALDH1A1
SCHEMBL22607056 0.82 KDM4E (0.47) SOS1DRD4LMNAALDH1A1SMN1; SMN2
SCHEMBL22607057 0.82 SOS1 (0.47) SOS1DRD4LMNADRD2DRD3
SCHEMBL22607141 0.80 SOS1 (0.51) SOS1SMN1; SMN2
SCHEMBL22606587 0.78 SOS1 (0.47) SOS1DRD4LMNADRD2DRD3
SCHEMBL22584715 0.77 SOS1 (0.46) SOS1DRD4DRD2DRD3

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 PTGS2 4582/4885SOS1 1806/4885DRD4 3292/4885

“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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