SCHEMBL4994044

SCHEMBL4994044

NC(=O)C1(C(N)=O)CN(Cc2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
TSHR P16473 2/20 0.52
ALDH1A1 P00352 4/20 0.50
CYP2D6 P10635 3/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 1/20 0.49
SIGMAR1 Q99720 1/20 0.48
FAAH O00519 1/20 0.46
CYP3A4 P08684 1/20 0.46
AMPD2 Q01433 1/20 0.46
MAPK1 P28482 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 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
SCHEMBL371723 0.85 GAA (0.56) GAATSHRALDH1A1CYP2D6KMT2A
SCHEMBL21806013 0.81 TSHR (0.49) GAATSHRALDH1A1CYP2D6KMT2A
SCHEMBL11355073 0.76 GAA (0.54) GAATSHRALDH1A1CYP2D6KMT2A
SCHEMBL431539 0.76 CYP3A4 (0.56) GAAALDH1A1CYP2D6KMT2AMEN1
SCHEMBL1792829 0.75 S1PR5 (0.66) GAAALDH1A1CYP2D6FAAH
SCHEMBL63806 0.75 TSHR (0.63) TSHRALDH1A1CYP2D6KMT2AMEN1
SCHEMBL3955531 0.75 TSHR (0.63) TSHRALDH1A1CYP2D6KMT2AMEN1
SCHEMBL3210066 0.74 CYP2D6 (0.76) TSHRALDH1A1CYP2D6KMT2ASIGMAR1
SCHEMBL27798357 0.74 SIGMAR1 (0.62) GAATSHRALDH1A1CYP2D6KMT2A
Carbamic Acid SCHEMBL6249677 0.74 TSHR (0.63) TSHRALDH1A1CYP2D6KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080166359-A1 Methods of using MEK inhibitors EXELIXIS, INC. 2008-07-10 US claimed
US-11124482-B2 C-met modulators and methods of use EXELIXIS, INC. (US) 2021-09-21 US disclosed
US-20210253530-A9 C-MET MODULATORS AND METHODS OF USE EXELIXIS, INC. 2021-08-19 US disclosed
US-20170355678-A1 C-Met Modulators and Methods of Use EXELIXIS INC (US) 2017-12-14 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 (4 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-20170355678-A1 C-Met Modulators and Methods of Use FLT4, FLT1, MET GAA 3255/4885TSHR 2803/4885ALDH1A1 2072/4885
US-20210253530-A9 C-MET MODULATORS AND METHODS OF USE FLT4, FLT1, MET GAA 3255/4885TSHR 2803/4885ALDH1A1 2072/4885
US-20080166359-A1 Methods of using MEK inhibitors BRAF, NRAS, KRAS GAA 2414/4885TSHR 3752/4885ALDH1A1 1438/4885
US-11124482-B2 C-met modulators and methods of use FLT4, FLT1, MET GAA 3255/4885TSHR 2803/4885ALDH1A1 2072/4885

“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.