SCHEMBL4284056

SCHEMBL4284056

COC(=O)c1cccc(NCC[C@@H]2CN(C(=O)O)CCN2)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.48
HSD17B10 Q99714 2/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CASR P41180 3/20 0.41
EGFR P00533 1/20 0.40
CCR3 P51677 1/20 0.39
RHOA P61586 1/20 0.39
HPGD P15428 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 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
SCHEMBL4750110 1.00 HTR7 (0.48) HTR7HSD17B10MAPK1LMNARAB9A
SCHEMBL4287898 0.90 SLC6A2 (0.44) LMNARAB9AALDH1A1KMT2AMEN1
SCHEMBL4282105 0.87 POLB (0.48) LMNARAB9AALDH1A1KMT2AMEN1
SCHEMBL4294740 0.83 MAN1B1 (0.43) CCR3POLB
SCHEMBL4287630 0.82 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL4284770 0.82 ALDH1A1 (0.41) RAB9AALDH1A1KMT2ACCR3POLB
SCHEMBL4291132 0.80 MAPT (0.42) RAB9AKMT2AMEN1SMN1; SMN2CCR3
SCHEMBL4973478 0.79 ADRB1 (0.40) RAB9AALDH1A1SMN1; SMN2CCR3POLB
SCHEMBL4284858 0.78 CA1 (0.42) LMNARAB9AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL8116637 0.78 CCR3 (0.44) RAB9ASMN1; SMN2CCR3

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-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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 (2 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-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HTR7 1874/4885HSD17B10 1017/4885MAPK1 422/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HTR7 1874/4885HSD17B10 1017/4885MAPK1 422/4885

“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.