SCHEMBL21433603

SCHEMBL21433603

CC(CC(C)C)=NNC(=O)c1ccc(N)cc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 12/20 0.47
▸ GPR39 O43194 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ KDM4E B2RXH2 7/20 0.45
▸ TDP1 Q9NUW8 3/20 0.45
▸ POLB P06746 1/20 0.45
▸ KLKB1 P03952 1/20 0.45
▸ MAPT P10636 9/20 0.44
▸ ALDH1A1 P00352 5/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ ESR2 Q92731 1/20 0.44
▸ PTPN1 P18031 1/20 0.44
▸ ALOX5 P09917 1/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ HTT P42858 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43

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
SCHEMBL21433602 1.00 GAA (0.47) GAAGPR39SMN1; SMN2RAB9AKDM4E
SCHEMBL21797169 0.88 GAA (0.55) GAASMN1; SMN2RAB9AKDM4EMAPT
SCHEMBL21797168 0.88 GAA (0.55) GAASMN1; SMN2RAB9AKDM4EMAPT
SCHEMBL12010974 0.85 GAA (0.45) GAASMN1; SMN2RAB9AKDM4ETDP1
SCHEMBL21433615 0.82 GAA (0.50) GAAGPR39SMN1; SMN2RAB9AKDM4E
SCHEMBL30240785 0.82 GAA (0.68) GAASMN1; SMN2RAB9AKDM4ETDP1
SCHEMBL1843219 0.82 GAA (0.68) GAASMN1; SMN2RAB9AKDM4ETDP1
SCHEMBL5705557 0.82 GAA (0.68) GAASMN1; SMN2RAB9AKDM4ETDP1
SCHEMBL1843216 0.82 GAA (0.68) GAASMN1; SMN2RAB9AKDM4ETDP1
SCHEMBL22540082 0.82 GPR39 (0.47) GAAGPR39SMN1; SMN2RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339272-B2 Additive for rubber, rubber composition, and tire using the same BRIDGESTONE CORPORATION (JP) 2022-05-24 — — US disclosed
US-11339272-B2 Additive for rubber, rubber composition, and tire using the same BRIDGESTONE CORPORATION (JP) 2022-05-24 — — US disclosed
US-20210108048-A1 ADDITIVE FOR RUBBER, RUBBER COMPOSITION, AND TIRE USING THE SAME BRIDGESTONE CORPORATION (JP) 2021-04-15 — — US disclosed
US-20210108048-A1 ADDITIVE FOR RUBBER, RUBBER COMPOSITION, AND TIRE USING THE SAME BRIDGESTONE CORPORATION (JP) 2021-04-15 — — US disclosed
US-20200109263-A1 TIRE RUBBER COMPOSITION AND TIRE BRIDGESTONE CORPORATION (JP) 2020-04-09 — — US disclosed
EP-3549979-A1 RUBBER ADDITIVE, RUBBER COMPOSITION, AND TIRE IN WHICH SAME IS USED Bridgestone Corporation (JP) 2019-10-09 — — 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 (2 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-20210108048-A1 ADDITIVE FOR RUBBER, RUBBER COMPOSITION, AND TIRE USING THE SAME HEATR1, HRH2, ATR GAA 4469/4885GPR39 3624/4885SMN1; SMN2 1312/4885
US-11339272-B2 Additive for rubber, rubber composition, and tire using the same HEATR1, HRH2, ATR GAA 4469/4885GPR39 3624/4885SMN1; SMN2 1312/4885

“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.

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