SCHEMBL4604606

SCHEMBL4604606

CCC(=O)Nc1ccc(CSc2ccccc2N2CCN(C)CC2)cc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.45
MCHR1 Q99705 1/20 0.45
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
TSHR P16473 3/20 0.41
GAA P10253 3/20 0.40
HSD17B10 Q99714 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 2/20 0.40
ABCB1 P08183 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAPK10 P53779 1/20 0.39
PTPRG P23470 1/20 0.39
HTT P42858 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
SCHEMBL4605252 0.91 KCNQ2 (0.44) ALDH1A1SMN1; SMN2KDM4EPKMTSHR
SCHEMBL4605269 0.90 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KDM4EGAAMEN1
SCHEMBL4606032 0.84 ALDH1A1 (0.46) NPBWR1MCHR1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL4605960 0.82 GAA (0.47) NPBWR1MCHR1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL4604092 0.78 ALDH1A1 (0.49) NPBWR1MCHR1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL4605278 0.77 KDM4E (0.51) ALDH1A1SMN1; SMN2KDM4EPKMGAA
SCHEMBL4604157 0.77 AKR1C3 (0.47) ALDH1A1SMN1; SMN2KDM4EPKMGAA
SCHEMBL4606133 0.77 MEN1 (0.48) ALDH1A1SMN1; SMN2KDM4EPKMTSHR
SCHEMBL4603286 0.76 ALDH1A1 (0.43) NPBWR1MCHR1ALDH1A1SMN1; SMN2TSHR
SCHEMBL4603292 0.76 ALDH1A1 (0.43) NPBWR1MCHR1ALDH1A1SMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720825-B1 ANTHRANILIC ACID DERIVATIVES, METHODS FOR THEIR PREPARATION AND USE AS DHODH INHIBITORS ACTIVE BIOTECH AB (SE) 2008-07-09 EP disclosed
US-7074831-B2 Compounds, methods for their preparation and use thereof ACTIVE BIOTECH AB (SE) 2006-07-11 US disclosed
US-20050187297-A1 New compounds, methods for their preparation and use thereof ACTIVE BIOTECH AB (SE) 2005-08-25 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-20050187297-A1 New compounds, methods for their preparation and use thereof MALT1, TPMT, FUCA1 NPBWR1 3173/4885MCHR1 4177/4885ALDH1A1 308/4885

“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.