SCHEMBL3598907

SCHEMBL3598907

Cc1c(NC(=O)CC(C)(C)C)cc2c(c1C)OC(C)(C)C2c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 2/20 0.42
NR1I2 O75469 1/20 0.40
IDO1 P14902 1/20 0.40
CYP2C19 P33261 1/20 0.40
HPGD P15428 3/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
ADORA1 P30542 2/20 0.36
KCNQ2 O43526 2/20 0.35
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 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
SCHEMBL3610116 0.91 MEN1 (0.38) SMN1; SMN2HTTNR1I2IDO1CYP2C19
SCHEMBL3599155 0.91 HPGD (0.46) SMN1; SMN2HTTNR1I2IDO1CYP2C19
SCHEMBL3601325 0.89 SMN1; SMN2 (0.36) SMN1; SMN2HTTNR1I2IDO1CYP2C19
SCHEMBL3599557 0.89 SMN1; SMN2 (0.39) SMN1; SMN2HTTNR1I2IDO1CYP2C19
SCHEMBL3595440 0.89 HTT (0.35) SMN1; SMN2HTTNR1I2IDO1CYP2C19
SCHEMBL3605314 0.89 HTT (0.38) SMN1; SMN2HTTNR1I2IDO1CYP2C19
SCHEMBL3589803 0.88 SMN1; SMN2 (0.41) SMN1; SMN2HTTCYP2C19HPGDMAPT
SCHEMBL3590333 0.88 HTT (0.34) SMN1; SMN2HTTNR1I2IDO1CYP2C19
SCHEMBL3603273 0.88 KCNH2 (0.37) SMN1; SMN2HTTHPGDMAPTRAB9A
SCHEMBL3604915 0.88 HTT (0.34) SMN1; SMN2HTTNR1I2IDO1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240174634-A1 Aldehyde Dehydrogenase Inhibitors and Their Therapeutic Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-05-30 US disclosed
EP-4259620-A1 ALDEHYDE DEHYDROGENASE INHIBITORS AND THEIR THERAPEUTIC USE Cancer Research Technology Limited (GB) 2023-10-18 EP disclosed
WO-2022123039-A1 ALDEHYDE DEHYDROGENASE INHIBITORS AND THEIR THERAPEUTIC USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2022-06-16 WO disclosed
EP-1637527-B1 CANNABINOID RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL (JP) 2013-04-17 EP disclosed
US-20100256143-A1 PHARMACEUTICAL COMPOUNDS BAKER STEWART JAMES 2010-10-07 US disclosed
US-20100240743-A1 CANNABINOID RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-23 US disclosed
EP-2146981-A1 PHARMACEUTICAL COMPOUNDS F. Hoffmann-Roche AG (CH) 2010-01-27 EP 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
WO-2008125833-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2008-10-23 WO 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 (6 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 SMN1; SMN2 4180/4885HTT 4582/4885NR1I2 159/4885
US-20100256143-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, JAK2 SMN1; SMN2 1580/4885HTT 3450/4885NR1I2 1092/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 SMN1; SMN2 4180/4885HTT 4582/4885NR1I2 159/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 SMN1; SMN2 4180/4885HTT 4582/4885NR1I2 159/4885
US-20240174634-A1 Aldehyde Dehydrogenase Inhibitors and Their Therapeutic Use ALDH2, ALDH1A1, ALDH3A1 SMN1; SMN2 3246/4885HTT 2608/4885NR1I2 744/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 SMN1; SMN2 4180/4885HTT 4582/4885NR1I2 159/4885

“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.