SCHEMBL967251

SCHEMBL967251

CC(C)c1cccc(NCC(N)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FADS1 O60427 1/20 0.50
▸ GRIN2D O15399 1/20 0.49
▸ GRIN3B O60391 1/20 0.49
▸ GRIN1 Q05586 1/20 0.49
▸ GRIN2A Q12879 1/20 0.49
▸ GRIN2B Q13224 1/20 0.49
▸ GRIN2C Q14957 1/20 0.49
▸ GRIN3A Q8TCU5 1/20 0.49
▸ SIGMAR1 Q99720 1/20 0.49
▸ CA2 P00918 4/20 0.48
▸ SYK P43405 2/20 0.46
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ PDGFRB P09619 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ CA1 P00915 3/20 0.41
▸ CA9 Q16790 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MDM4 O15151 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL5290492 0.85 FADS1 (0.48) FADS1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL16980502 0.83 FADS1 (0.46) FADS1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4409854 0.80 KIF11 (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29639822 0.78 FADS1 (0.61) FADS1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL12569599 0.78 FADS1 (0.61) FADS1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL966007 0.78 MAPT (0.58) SYKMEN1KMT2AKDM4EALDH1A1
Benzene SCHEMBL11583205 0.77 FADS1 (0.60) FADS1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL16869916 0.76 CYP3A4 (0.46) FADS1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL214885 0.76 SYK (0.57) SYKMEN1KMT2AKDM4EALDH1A1
SCHEMBL17560624 0.76 DDX3X (0.56) CA2SYKMEN1KMT2ACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021525-A1 P70S6 Kinase Modulators and Method of Use EXELIXIS, INC. (US) 2011-01-27 — — US disclosed
US-7816353-B2 P70S6 kinase modulators and method of use EXELIXIS, INC. (US) 2010-10-19 — — US disclosed
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EXELIXIS, INC. 2007-09-06 — — 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-20110021525-A1 P70S6 Kinase Modulators and Method of Use EEF2K, RPS6KA3, MTOR FADS1 4342/4885GRIN2D 2301/4885GRIN3B 1522/4885
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EEF2K, RPS6KA3, MTOR FADS1 4342/4885GRIN2D 2301/4885GRIN3B 1522/4885

“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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