SCHEMBL5542938

SCHEMBL5542938

CN(C)C(=O)[C@@H](CNC(=O)O)NC(=O)C(=O)Nc1ccc(Cl)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.44
▸ RAB9A P51151 8/20 0.44
▸ NPC1 O15118 4/20 0.44
▸ L3MBTL1 Q9Y468 6/20 0.44
▸ MAPK1 P28482 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ TSHR P16473 3/20 0.43
▸ TP53 P04637 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ GLA P06280 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ THRB P10828 1/20 0.41
▸ HPGD P15428 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
SCHEMBL5549071 1.00 PTK2 (0.45) PTK2TDP1RAB9ANPC1L3MBTL1
SCHEMBL14496969 0.86 TRPA1 (0.42) PTK2TDP1RAB9ANPC1L3MBTL1
SCHEMBL5548161 0.80 L3MBTL1 (0.43) PTK2TDP1RAB9ANPC1L3MBTL1
SCHEMBL14496502 0.79 F10 (0.48) RAB9ASMN1; SMN2TSHRTP53NFKB1
SCHEMBL5542980 0.79 PTK2 (0.46) PTK2TDP1RAB9ANPC1L3MBTL1
SCHEMBL14497096 0.78 F10 (0.44) RAB9ANPC1MAPK1NPSR1SMN1; SMN2
SCHEMBL14496461 0.78 F10 (0.44) RAB9ANPC1NPSR1SMN1; SMN2TSHR
SCHEMBL14496429 0.78 F10 (0.44) RAB9ANPC1MAPK1NPSR1SMN1; SMN2
SCHEMBL14496974 0.78 PTK2 (0.48) PTK2TDP1RAB9ANPC1L3MBTL1
SCHEMBL14496487 0.78 RAB9A (0.47) PTK2TDP1RAB9ANPC1L3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 — — US disclosed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 — — EP 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-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S PTK2 3479/4885TDP1 1949/4885RAB9A 3871/4885

“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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