SCHEMBL21348754

SCHEMBL21348754

CC(N)C(=O)Nc1cccc(C(C)C)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.58
CA2 P00918 1/20 0.56
GRIN2D O15399 1/20 0.54
GRIN3B O60391 1/20 0.54
GRIN1 Q05586 1/20 0.54
GRIN2A Q12879 1/20 0.54
GRIN2B Q13224 1/20 0.54
GRIN2C Q14957 1/20 0.54
GRIN3A Q8TCU5 1/20 0.54
SIGMAR1 Q99720 1/20 0.54
TAAR1 Q96RJ0 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
LMNA P02545 2/20 0.46
XIAP P98170 1/20 0.46
BIRC2 Q13490 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TRPV1 Q8NER1 1/20 0.45
AKR1C3 P42330 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL5141326 0.89 MEN1 (0.51) FADS1CA2TAAR1MEN1KMT2A
SCHEMBL5141327 0.89 MEN1 (0.51) FADS1CA2TAAR1MEN1KMT2A
SCHEMBL5950517 0.86 SMN1; SMN2 (0.61) FADS1CA2GRIN2DGRIN3BGRIN1
SCHEMBL178381 0.84 FADS1 (0.53) FADS1CA2GRIN2DGRIN3BGRIN1
SCHEMBL21923175 0.83 FADS1 (0.55) FADS1CA2GRIN2DGRIN3BGRIN1
SCHEMBL29639822 0.83 FADS1 (0.61) FADS1CA2GRIN2DGRIN3BGRIN1
SCHEMBL12569599 0.83 FADS1 (0.61) FADS1CA2GRIN2DGRIN3BGRIN1
SCHEMBL12812735 0.81 HSD17B10 (0.61) TAAR1MEN1KMT2ASMN1; SMN2ALDH1A1
Benzene SCHEMBL11583205 0.81 FADS1 (0.60) FADS1CA2GRIN2DGRIN3BGRIN1
SCHEMBL26464127 0.81 HSD17B10 (0.61) TAAR1MEN1KMT2ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10556898-B2 Indazolyl-1,2,4-thiadiazolamines and related compounds for inhibition of Rho-associated protein kinase and the treatment of disease LYCERA CORPORATION (US) 2020-02-11 US disclosed
US-20190276447-A1 INDAZOLYL-1,2,4-THIADIAZOLAMINES AND RELATED COMPOUNDS FOR INHIBITION OF RHO-ASSOCIATED PROTEIN KINASE AND THE TREATMENT OF DISEASE LYCERA CORPORATION 2019-09-12 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 (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-20190276447-A1 INDAZOLYL-1,2,4-THIADIAZOLAMINES AND RELATED COMPOUNDS FOR INHIBITION OF RHO-ASSOCIATED PROTEIN KINASE AND THE TREATMENT OF DISEASE ROCK1, ROCK2, TNK2 FADS1 4412/4885CA2 244/4885GRIN2D 3553/4885
US-10556898-B2 Indazolyl-1,2,4-thiadiazolamines and related compounds for inhibition of Rho-associated protein kinase and the treatment of disease ROCK1, ROCK2, TNK2 FADS1 4412/4885CA2 244/4885GRIN2D 3553/4885

“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.