SCHEMBL2950344

SCHEMBL2950344

Brc1ccc2c(c1)ncn2CCN1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.49
ALOX15 P16050 1/20 0.49
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 1/20 0.47
FGFR1 P11362 4/20 0.46
SRC P12931 3/20 0.46
EGFR P00533 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MAPT P10636 2/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL17678289 0.93 DRD2 (0.49) MAPK1ALOX15FGFR1SRCEGFR
SCHEMBL16041430 0.89 MAPK1 (0.46) MAPK1ALOX15FGFR1SRCEGFR
SCHEMBL2325562 0.89 HDAC1 (0.56) HDAC1HSD17B10ALDH1A1KDM4EHPGD
SCHEMBL521597 0.83 HSD17B10 (0.64) MAPK1HDAC1HDAC2FGFR1SRC
SCHEMBL17678347 0.83 KDM4E (0.51) MAPK1HDAC1HDAC2FGFR1SRC
SCHEMBL17678286 0.83 DRD2 (0.49) MAPK1ALOX15FGFR1SRCEGFR
SCHEMBL17678288 0.81 MAPT (0.52) HDAC1HSD17B10ALDH1A1HPGDNPC1
SCHEMBL21026149 0.80 SIGMAR1 (0.48) MAPK1HDAC1HDAC2FGFR1SRC
SCHEMBL6871616 0.80 TDP1 (0.69) MAPK1TSHRHSD17B10ALDH1A1KDM4E
SCHEMBL29723989 0.79 ACVR1 (0.56) MAPK1ALOX15HSD17B10ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2019-05-23 US disclosed
WO-2016057834-A9 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2017-04-13 WO disclosed
WO-2016057834-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2016-04-14 WO disclosed
US-7754886-B2 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES (US) 2010-07-13 US disclosed
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2009-05-28 US disclosed
US-7504512-B2 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES (US) 2009-03-17 US disclosed
EP-1318978-B1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LAB (US) 2006-02-08 EP disclosed
US-20040192681-A1 N-acylsulfonamide apoptosis promoters ABBVIE INC. 2004-09-30 US disclosed
US-6720338-B2 BCL-X1 INHIBITING COMPOSITIONS AND METHODS OF PROMOTING APOPTOSIS IN A MAMMAL ABBOTT LABORATORIES 2004-04-13 US disclosed
US-20020086887-A1 N-Acylsulfonamide apoptosis promoters ABBVIE INC. 2002-07-04 US disclosed
US-20020055631-A1 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES 2002-05-09 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 (5 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-20020086887-A1 N-Acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 MAPK1 2657/4885ALOX15 1660/4885HDAC1 94/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 MAPK1 2730/4885ALOX15 1942/4885HDAC1 78/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 MAPK1 2657/4885ALOX15 1660/4885HDAC1 94/4885
US-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES HPSE, GAA, MAN2B1 MAPK1 2296/4885ALOX15 1603/4885HDAC1 217/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR MAPK1 4010/4885ALOX15 1938/4885HDAC1 104/4885

“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.