SCHEMBL21294956

SCHEMBL21294956

CC(=O)c1cccc(C2COC2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.50
PARP1 P09874 1/20 0.46
KMO O15229 1/20 0.46
RAF1 P04049 4/20 0.44
GRIA2 P42262 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
BRAF P15056 3/20 0.41
CHRNA1 P02708 1/20 0.41
CHRNG P07510 1/20 0.41
CHRNB1 P11230 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
CHRND Q07001 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL18907044 0.84 KMO (0.65) PARP1KMORAB9AALDH1A1LMNA
SCHEMBL2908064 0.84 KMO (0.59) DRD3KMONPC1ALDH1A1LMNA
SCHEMBL29210011 0.83 KMO (0.51) DRD3PARP1KMONPC1RAB9A
SCHEMBL30887466 0.83 KMO (0.51) DRD3PARP1KMONPC1RAB9A
SCHEMBL23214310 0.82 LOXL2 (0.46) PARP1KMORAF1NPC1RAB9A
SCHEMBL18890184 0.81 PARP1 (0.45) DRD3PARP1KMORAF1BRAF
SCHEMBL19862476 0.81 KMO (0.70) DRD3KMONPC1ALDH1A1LMNA
SCHEMBL1499340 0.81 PARP1 (0.70) DRD3PARP1KMONPC1RAB9A
SCHEMBL9338681 0.79 KMO (0.73) DRD3KMONPC1ALDH1A1LMNA
SCHEMBL18702957 0.78 LMNA (0.43) NPC1RAB9AALDH1A1LMNACHRNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220081423-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2022-03-17 US disclosed
US-11028075-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2021-06-08 US disclosed
EP-3759098-A1 PYRIDINE-SULFONAMIDE COMPOUNDS AND THEIR USE AGAINST PAIN AND RELATED CONDITIONS Genentech, Inc. (US) 2021-01-06 EP disclosed
WO-2019165290-A1 PYRIDINE-SULFONAMIDE COMPOUNDS AND THEIR USE AGAINST PAIN AND RELATED CONDITIONS GENENTECH, INC. (US) 2019-08-29 WO disclosed
US-20190263786-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-08-29 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 (3 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-20190263786-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF ASAH2, ACER2, PCSK9 DRD3 3833/4885PARP1 2979/4885KMO 3612/4885
US-20220081423-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF TRPV1, HCN4, TRPA1 DRD3 2377/4885PARP1 4674/4885KMO 2273/4885
US-11028075-B2 Therapeutic compounds and methods of use thereof TRPV1, HCN4, TRPA1 DRD3 2377/4885PARP1 4674/4885KMO 2273/4885

“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.