SCHEMBL1645388

SCHEMBL1645388

COCOc1cc2c(cc1N)CCC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
MAPT P10636 6/20 0.37
KDM4E B2RXH2 5/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
GAA P10253 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
PKM P14618 1/20 0.37
ALOX15 P16050 2/20 0.33
POLB P06746 2/20 0.33
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
HSD17B10 Q99714 2/20 0.32
USP2 O75604 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
THRB P10828 1/20 0.32
G6PD P11413 1/20 0.32
CASP1 P29466 1/20 0.32

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
SCHEMBL20231622 0.79 L3MBTL1 (0.48) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL2463055 0.79 MAPT (0.50) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL2460931 0.75 KDM4E (0.50) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL7527046 0.75 ALDH1A1 (0.48) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL12380722 0.75 NLRP3 (0.33) ALDH1A1MAPTKDM4EGAAL3MBTL1
SCHEMBL27808487 0.73 KDM4E (0.31) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL21468497 0.73 ALDH1A1 (0.47) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL1645087 0.72 RAB9A (0.39) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL5163688 0.71 ROCK2 (0.44) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL8121645 0.71 ALDH1A1 (0.40) ALDH1A1MAPTKDM4EMEN1KMT2A

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-8314240-B2 Sulfonamide compounds or salts thereof ASTELLAS PHARMA INC. (JP) 2012-11-20 US disclosed
US-8314240-B2 Sulfonamide compounds or salts thereof ASTELLAS PHARMA INC. (JP) 2012-11-20 US disclosed
US-8314240-B2 Sulfonamide compounds or salts thereof ASTELLAS PHARMA INC. (JP) 2012-11-20 US disclosed
US-20110201616-A1 SULFONAMIDE COMPOUNDS OR SALTS THEREOF ASTELLAS PHARMA INC. (JP) 2011-08-18 US disclosed
US-20110201616-A1 SULFONAMIDE COMPOUNDS OR SALTS THEREOF ASTELLAS PHARMA INC. (JP) 2011-08-18 US disclosed
US-20110201616-A1 SULFONAMIDE COMPOUNDS OR SALTS THEREOF ASTELLAS PHARMA INC. (JP) 2011-08-18 US disclosed
EP-2305641-A1 SULFONAMIDE COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2011-04-06 EP 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-20110201616-A1 SULFONAMIDE COMPOUNDS OR SALTS THEREOF PTGER1, PTGER2, GPER1 ALDH1A1 614/4885MAPT 4794/4885KDM4E 3127/4885

“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.