SCHEMBL3603753

SCHEMBL3603753

Cc1c(NC(=O)CC(C)(C)C)cc2c(c1C)OC(C)(C)C2c1cccs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
PKM P14618 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTT P42858 1/20 0.38
ADORA2A P29274 5/20 0.36
ADORA1 P30542 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
KCNQ2 O43526 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL3598907 0.84 SMN1; SMN2 (0.42) HDAC1HDAC2SMN1; SMN2HPGDALDH1A1
SCHEMBL3589803 0.83 SMN1; SMN2 (0.41) HDAC1HDAC2SMN1; SMN2HPGDALDH1A1
SCHEMBL3596656 0.82 SMN1; SMN2 (0.38) HDAC1HDAC2SMN1; SMN2HPGDALDH1A1
SCHEMBL3610116 0.82 MEN1 (0.38) HDAC1HDAC2SMN1; SMN2HPGDALDH1A1
SCHEMBL3599155 0.82 HPGD (0.46) HDAC1HDAC2SMN1; SMN2HPGDALDH1A1
SCHEMBL3601325 0.80 SMN1; SMN2 (0.36) HDAC1HDAC2SMN1; SMN2HPGDALDH1A1
SCHEMBL3592619 0.80 SMN1; SMN2 (0.40) HDAC1HDAC2SMN1; SMN2HPGDALDH1A1
SCHEMBL3598621 0.80 SMN1; SMN2 (0.39) SMN1; SMN2HPGDALDH1A1HTTADORA2A
SCHEMBL3602946 0.80 SMN1; SMN2 (0.39) HDAC1HDAC2SMN1; SMN2HPGDALDH1A1
SCHEMBL3599557 0.80 SMN1; SMN2 (0.39) HDAC1HDAC2SMN1; SMN2HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1637527-B1 CANNABINOID RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL (JP) 2013-04-17 EP disclosed
US-20100240743-A1 CANNABINOID RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-23 US disclosed
US-7507841-B2 Carbamoylamino-substituted 2,3-dihydro-benzofurans, indoles and benzothiophenes, e.g., (+)-N-((3R)-3-(4-isopropylphenyl)-4,6,7-trimethyl-2,3-dihydro-1-benzofuran-5-yl)-3,3-dimethylbutanamide; cerebrovascular disorders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-24 US disclosed
US-20090023800-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-01-22 US disclosed
US-7465815-B2 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-16 US disclosed
US-20080021087-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED 2008-01-24 US disclosed
US-20070099990-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-03 US disclosed
EP-1637527-A1 CANNABINOID RECEPTOR MODULATOR Takeda Pharmaceutical Company Limited (JP) 2006-03-22 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 (4 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-20100240743-A1 CANNABINOID RECEPTOR MODULATOR CNR1, CNR2, GPR18 HDAC1 286/4885HDAC2 583/4885SMN1; SMN2 4180/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 HDAC1 286/4885HDAC2 583/4885SMN1; SMN2 4180/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 HDAC1 286/4885HDAC2 583/4885SMN1; SMN2 4180/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 HDAC1 286/4885HDAC2 583/4885SMN1; SMN2 4180/4885

“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.