SCHEMBL1503579

SCHEMBL1503579

COC(=O)[C@H](CN)N1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 1/20 0.40
GLA P06280 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM1A O60341 1/20 0.37
RECQL P46063 1/20 0.37
HTT P42858 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35

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
Hydrochloric Acid SCHEMBL1503547 0.98 ALDH1A1 (0.44) NPSR1ALDH1A1LMNAMAPTHPGD
Hydrochloric Acid SCHEMBL2682302 0.98 ALDH1A1 (0.44) NPSR1ALDH1A1LMNAMAPTHPGD
SCHEMBL7935850 0.82 MEN1 (0.44) NPSR1ALDH1A1LMNAMAPTKMT2A
Hydrochloric Acid SCHEMBL2681973 0.82 MEN1 (0.44) NPSR1ALDH1A1LMNAMAPTKMT2A
SCHEMBL2682079 0.82 MEN1 (0.44) NPSR1ALDH1A1LMNAMAPTKMT2A
SCHEMBL16415867 0.81 L3MBTL1 (0.47) NPSR1ALDH1A1LMNAMAPTHPGD
Hydrochloric Acid SCHEMBL2680414 0.81 ALDH1A1 (0.46) NPSR1ALDH1A1LMNAMAPTKMT2A
SCHEMBL27953630 0.80 HSD17B10 (0.42) NPSR1ALDH1A1LMNAMAPTHPGD
SCHEMBL13958211 0.79 RECQL (0.34) KMT2ARECQLPOLB
SCHEMBL997678 0.78 HSD17B10 (0.53) NPSR1ALDH1A1LMNAMAPTHPGD

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
US-8772478-B2 Benzenesulfonamide compounds, method for synthesizing same, and use thereof in medicine as well as in cosmetics GALDERMA RESEARCH & DEVELOPMENT (FR) 2014-07-08 US disclosed
US-20120116072-A1 NOVEL BENZENESULFONAMIDE COMPOUNDS, METHOD FOR SYNTHESIZING SAME, AND USE THEREOF IN MEDICINE AS WELL AS IN COSMETICS GALDERMA RESEARCH & DEVELOPEMENT (FR) 2012-05-10 US disclosed
WO-2011033010-A1 4-ALKOXY-N- (2-HYDROXYCARBAMOYL-2-PIPERIDINYL-ETHYL) -BENZAMIDE COMPOUNDS AS SELECTIVE TACE-INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-03-24 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-20120116072-A1 NOVEL BENZENESULFONAMIDE COMPOUNDS, METHOD FOR SYNTHESIZING SAME, AND USE THEREOF IN MEDICINE AS WELL AS IN COSMETICS TYR, ARSA, STS NPSR1 1361/4885ALDH1A1 348/4885LMNA 2957/4885

“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.