Sugi Predict

Sugi Predict / Compounds / SCHEMBL3737352

SCHEMBL3737352

SCHEMBL3737352

O=C(Nc1nnc(COc2cccc3ccccc23)s1)c1ccc2c(c1)CCNC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ KMT2A Q03164 4/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ ROCK2 O75116 1/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ F2 P00734 1/20 0.42
▸ PLG P00747 1/20 0.42
▸ PLAU P00749 1/20 0.42
▸ PLAT P00750 1/20 0.42
▸ KLKB1 P03952 1/20 0.42
▸ PRSS1 P07477 1/20 0.42
▸ PTGER3 P43115 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ DGAT1 O75907 1/20 0.40
▸ MAP3K5 Q99683 1/20 0.40
▸ MAPT P10636 5/20 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
Hydrochloric Acid SCHEMBL3728976 0.99 LMNA (0.46) LMNAALDH1A1RXFP1KMT2ANPSR1
SCHEMBL13347625 0.88 LMNA (0.43) LMNAALDH1A1RXFP1KMT2ANPSR1
SCHEMBL3733940 0.88 NPSR1 (0.52) LMNAALDH1A1RXFP1KMT2ANPSR1
SCHEMBL3723591 0.88 MAPT (0.54) LMNAALDH1A1RXFP1KMT2ANPSR1
SCHEMBL3729076 0.88 LMNA (0.46) LMNAALDH1A1RXFP1KMT2ANPSR1
SCHEMBL3727638 0.88 RXFP1 (0.50) LMNAALDH1A1RXFP1KMT2ANPSR1
Hydrochloric Acid SCHEMBL3725753 0.88 LMNA (0.43) LMNAALDH1A1RXFP1KMT2ANPSR1
Hydrochloric Acid SCHEMBL3731982 0.87 NPSR1 (0.51) LMNAALDH1A1RXFP1KMT2ANPSR1
Hydrochloric Acid SCHEMBL3729412 0.87 RXFP1 (0.49) LMNAALDH1A1RXFP1KMT2ANPSR1
Hydrochloric Acid SCHEMBL3728221 0.87 MAPT (0.53) LMNAALDH1A1RXFP1KMT2ANPSR1

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-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE BOUILLOT ANNE MARIE JEANNE 2010-05-13 — — US claimed
EP-2125799-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE Smithkline Beecham Corporation (US) 2009-12-02 — — EP claimed
WO-2008104524-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE SMITHKLINE BEECHAM CORPORATION (US) 2008-09-04 — — WO claimed
US-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE BOUILLOT ANNE MARIE JEANNE 2010-05-13 — — US disclosed
EP-2125799-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE Smithkline Beecham Corporation (US) 2009-12-02 — — EP disclosed
WO-2008104524-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE SMITHKLINE BEECHAM CORPORATION (US) 2008-09-04 — — WO 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 (1 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-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE SCD, SCD5, FADS2 LMNA 2761/4885ALDH1A1 458/4885RXFP1 4654/4885

“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.