Sugi Predict

Sugi Predict / Compounds / SCHEMBL6457916

SCHEMBL6457916

SCHEMBL6457916

COc1ccc(C)cc1NC(=S)N[C@H]1CC[C@@H](Nc2nc3c(c(N(C)C)n2)CCCC3)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ TP53 P04637 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ ADRA2A P08913 3/20 0.39
▸ MCHR1 Q99705 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HRH1 P35367 2/20 0.39
▸ HTR2B P41595 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ATM Q13315 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ ADRA1A P35348 1/20 0.39

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
SCHEMBL6457924 1.00 L3MBTL1 (0.46) L3MBTL1TDP1ALDH1A1HTTLMNA
SCHEMBL6878924 0.91 L3MBTL1 (0.46) L3MBTL1TDP1ALDH1A1HTTLMNA
SCHEMBL6878919 0.91 L3MBTL1 (0.46) L3MBTL1TDP1ALDH1A1HTTLMNA
SCHEMBL6876902 0.91 TDP1 (0.59) L3MBTL1TDP1ALDH1A1HTTLMNA
SCHEMBL6876908 0.91 TDP1 (0.59) L3MBTL1TDP1ALDH1A1HTTLMNA
SCHEMBL6872321 0.90 MCHR1 (0.42) TDP1ALDH1A1HTTLMNATP53
SCHEMBL6872318 0.90 MCHR1 (0.42) TDP1ALDH1A1HTTLMNATP53
SCHEMBL6873160 0.89 LMNA (0.55) L3MBTL1TDP1ALDH1A1LMNANPSR1
SCHEMBL6873156 0.89 LMNA (0.55) L3MBTL1TDP1ALDH1A1LMNANPSR1
SCHEMBL6868372 0.88 TDP1 (0.43) L3MBTL1TDP1ALDH1A1HTTLMNA

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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 — — US claimed
WO-2004087669-A1 NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO. LTD. (JP) 2004-10-14 — — WO claimed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 — — EP claimed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 — — US disclosed
WO-2004087669-A1 NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO. LTD. (JP) 2004-10-14 — — WO disclosed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 — — EP 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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 L3MBTL1 3949/4885TDP1 1049/4885ALDH1A1 2036/4885

“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.