SCHEMBL2055409

SCHEMBL2055409

Nc1c(C(=O)N2CCCC2)ccc2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.63
ALDH1A1 P00352 4/20 0.54
MAPT P10636 3/20 0.54
KDM4E B2RXH2 2/20 0.54
GAA P10253 2/20 0.54
GLA P06280 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
LMNA P02545 3/20 0.49
HTT P42858 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MBTD1 Q05BQ5 1/20 0.49
TP53BP1 Q12888 1/20 0.49
L3MBTL3 Q96JM7 1/20 0.49
CYP1A1 P04798 1/20 0.48
CYP1B1 Q16678 1/20 0.48
POLB P06746 3/20 0.47
TSHR P16473 1/20 0.46
RECQL P46063 1/20 0.46

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
SCHEMBL11335881 0.81 HPGD (0.63) HPGDALDH1A1MAPTKDM4EGAA
SCHEMBL6430908 0.80 ALDH1A1 (0.68) HPGDALDH1A1MAPTKDM4EGAA
SCHEMBL28619336 0.79 WDR5 (0.68) HPGDALDH1A1MAPTKDM4EGAA
SCHEMBL17907459 0.79 HPGD (0.60) HPGDALDH1A1MAPTKDM4EGAA
SCHEMBL25247976 0.79 ALDH1A1 (0.66) HPGDALDH1A1MAPTKDM4EGAA
SCHEMBL14720666 0.79 ALDH1A1 (0.66) HPGDALDH1A1MAPTKDM4EGAA
SCHEMBL28394623 0.79 ALDH1A1 (0.66) HPGDALDH1A1MAPTKDM4EGAA
SCHEMBL11360223 0.79 ALDH1A1 (0.66) HPGDALDH1A1MAPTKDM4EGAA
SCHEMBL8407368 0.79 ALDH1A1 (0.66) HPGDALDH1A1MAPTKDM4EGAA
SCHEMBL28570849 0.79 ALDH1A1 (0.66) HPGDALDH1A1MAPTKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163911-B2 Arylsulfonylaminomethylphosphonic acid derivatives, the preparation thereof and the use thereof as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-24 US disclosed
US-8163911-B2 Arylsulfonylaminomethylphosphonic acid derivatives, the preparation thereof and the use thereof as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-24 US disclosed
US-20100261677-A1 ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 US disclosed
US-20100261677-A1 ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 US disclosed
US-20100261677-A1 ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 US disclosed
EP-2200987-A1 ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS Boehringer Ingelheim International GmbH (DE) 2010-06-30 EP disclosed
WO-2009030715-A1 ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-12 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-20100261677-A1 ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS ARSA, SULT2A1, PMM2 HPGD 3202/4885ALDH1A1 468/4885MAPT 4830/4885

“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.