SCHEMBL19699400

SCHEMBL19699400

C=CC(=O)Nc1ccc(CC)c(C(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 11/20 0.49
▸ THRA P10827 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ F13A1 P00488 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ TGM1 P22735 1/20 0.45
▸ TGM3 Q08188 1/20 0.45
▸ EGFR P00533 3/20 0.44
▸ FYN P06241 1/20 0.44
▸ SRC P12931 1/20 0.44
▸ PPARG P37231 1/20 0.44
▸ GSTO1 P78417 1/20 0.42
▸ NOX1 Q9Y5S8 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
SCHEMBL19699681 0.84 TGM2 (0.54) TGM2THRATHRBF13A1LMNA
SCHEMBL11208884 0.76 GAA (0.64) TGM2F13A1LMNATGM1TGM3
SCHEMBL18500990 0.75 LMNA (0.65) LMNA
SCHEMBL1381808 0.73 TGM2 (0.65) TGM2THRATHRBF13A1LMNA
SCHEMBL1132464 0.73 THRA (0.67) TGM2THRATHRBF13A1LMNA
SCHEMBL27616728 0.72 TDP1 (0.51) TGM2THRATHRBF13A1LMNA
SCHEMBL19386559 0.71 GAA (0.36) LMNA
SCHEMBL25896984 0.71 KCNK3 (0.65) —
SCHEMBL10033524 0.71 TSHR (0.60) TGM2THRATHRBF13A1LMNA
SCHEMBL17660300 0.71 EPHB4 (0.61) TGM2EGFRFYNSRC

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-10329297-B2 Compounds for the inhibition of indoleamine-2,3-dioxygenase MERCK PATENT GMBH (DE) 2019-06-25 — — US disclosed
US-20170355703-A1 COMPOUNDS FOR THE INHIBITION OF INDOLEAMINE-2,3-DIOXYGENASE MERCK PATENT GMBH (DE) 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 (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-20170355703-A1 COMPOUNDS FOR THE INHIBITION OF INDOLEAMINE-2,3-DIOXYGENASE IDO1, IDO2, INMT TGM2 710/4885THRA 2276/4885THRB 1535/4885
US-10329297-B2 Compounds for the inhibition of indoleamine-2,3-dioxygenase IDO1, IDO2, INMT TGM2 710/4885THRA 2276/4885THRB 1535/4885

“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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