SCHEMBL4606032

SCHEMBL4606032

CCC(=O)Nc1ccc(Sc2ccccc2N2CCN(C)CC2)cc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 3/20 0.42
NPBWR1 P48145 1/20 0.42
MCHR1 Q99705 1/20 0.42
HTR1A P08908 2/20 0.42
HTR3A P46098 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ABCB1 P08183 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 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
SCHEMBL4605497 0.91 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2TSHRNPC1KMT2A
SCHEMBL4603441 0.89 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL4604606 0.84 NPBWR1 (0.45) ALDH1A1KDM4ESMN1; SMN2TSHRNPBWR1
SCHEMBL4617063 0.79 ALDH1A1 (0.41) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL4606133 0.78 MEN1 (0.48) ALDH1A1KDM4ESMN1; SMN2TSHRHTR1A
SCHEMBL4604092 0.77 ALDH1A1 (0.49) ALDH1A1KDM4ESMN1; SMN2TSHRNPBWR1
SCHEMBL4603292 0.77 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2TSHRNPBWR1MCHR1
SCHEMBL4605960 0.77 GAA (0.47) ALDH1A1KDM4ESMN1; SMN2TSHRNPBWR1
SCHEMBL4603286 0.77 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2TSHRNPBWR1MCHR1
SCHEMBL4605316 0.76 AKR1C3 (0.46) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A

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 5 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
EP-1720825-A1 NEW COMPOUNDS, METHODS FOR THEIR PREPARATION AND USE THEREOF Active Biotech AB (SE) 2006-11-15 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
WO-2005075410-A1 NEW COMPOUNDS, METHODS FOR THEIR PREPARATION AND USE THEREOF ACTIVE BIOTECH AB (SE) 2005-08-18 WO 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 ALDH1A1 308/4885KDM4E 2898/4885TDP1 3738/4885

“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.