Sugi Predict

Sugi Predict / Compounds / SCHEMBL3204876

SCHEMBL3204876

SCHEMBL3204876

CN(C(=O)C(C)(C)C)c1cccc(N)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.43
▸ CYP3A4 P08684 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NPY2R P49146 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ CLK1 P49759 1/20 0.37
▸ PBRM1 Q86U86 1/20 0.37
▸ DDX3X O00571 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ HTR3E A5X5Y0 1/20 0.37
▸ HTR3B O95264 1/20 0.37
▸ HTR3A P46098 1/20 0.37
▸ HTR3D Q70Z44 1/20 0.37
▸ HTR3C Q8WXA8 1/20 0.37
▸ NPC1 O15118 1/20 0.36

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
SCHEMBL14267705 0.85 SIGMAR1 (0.43) SIGMAR1CYP3A4MEN1KMT2AALDH1A1
SCHEMBL8884787 0.80 SIGMAR1 (0.50) SIGMAR1CYP3A4ALDH1A1CLK1PBRM1
SCHEMBL2020210 0.80 SIGMAR1 (0.47) SIGMAR1CYP3A4SMN1; SMN2ALDH1A1CLK1
SCHEMBL15640887 0.80 SIGMAR1 (0.47) SIGMAR1CYP3A4ALDH1A1CLK1PBRM1
SCHEMBL31222334 0.79 RIPK1 (0.46) SIGMAR1CYP3A4MEN1CYP2C9CYP2C19
SCHEMBL3910121 0.79 BRD4 (0.51) SIGMAR1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8946139 0.77 KMT2A (0.60) CYP3A4MEN1CYP2C9CYP2C19KMT2A
SCHEMBL13698361 0.77 ATM (0.50) SIGMAR1KMT2ACLK1PBRM1NPC1
SCHEMBL1937633 0.76 SIGMAR1 (0.43) SIGMAR1CYP3A4MEN1KMT2ASMN1; SMN2
SCHEMBL3222780 0.76 SIGMAR1 (0.43) SIGMAR1CYP3A4KMT2AALDH1A1CLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG SCHULZE KLAUSE 2010-02-25 — — US disclosed
US-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG SCHULZE KLAUSE 2010-02-25 — — US disclosed
US-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG SCHULZE KLAUSE 2010-02-25 — — US disclosed
EP-2048142-A2 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof Eisai R&D Management Co., Ltd. (JP) 2009-04-15 — — EP disclosed
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-18 — — 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-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG PLK2, PDXK, PLK4 SIGMAR1 3611/4885CYP3A4 1323/4885MEN1 3222/4885
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug PLK4, PDXK, PLK2 SIGMAR1 3314/4885CYP3A4 682/4885MEN1 3023/4885

“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.