Sugi Predict

Sugi Predict / Compounds / SCHEMBL4115207

SCHEMBL4115207

SCHEMBL4115207

COc1cccnc1-c1cccc(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 2/20 0.42
▸ SLC6A2 P23975 2/20 0.42
▸ SLC6A4 P31645 2/20 0.42
▸ DHODH Q02127 1/20 0.41
▸ CTSA P10619 3/20 0.41
▸ NFE2L2 Q16236 2/20 0.40
▸ SYK P43405 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ S100A4 P26447 1/20 0.39
▸ HKDC1 Q2TB90 1/20 0.39
▸ PADI1 Q9ULC6 1/20 0.39
▸ PADI3 Q9ULW8 1/20 0.39
▸ PADI4 Q9UM07 1/20 0.39
▸ PADI2 Q9Y2J8 1/20 0.39
▸ ATG4B Q9Y4P1 1/20 0.39
▸ AURKA O14965 1/20 0.38
▸ PDE5A O76074 1/20 0.38

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
SCHEMBL15674510 0.87 MAP4K1 (0.45) NFE2L2SYKTDP1L3MBTL1S100A4
SCHEMBL13330989 0.81 PDE10A (0.42) S100A4HKDC1PADI1PADI3PADI4
SCHEMBL29983606 0.80 ALDH1A1 (0.51) NFE2L2TDP1L3MBTL1ADORA2AAURKA
SCHEMBL28044194 0.79 ALDH1A1 (0.58) ADORA2AS100A4HKDC1PADI1PADI3
SCHEMBL15674227 0.77 SYK (0.44) CTSASYKL3MBTL1MAPK14CCNT1
SCHEMBL15674427 0.77 MAPK14 (0.44) CTSASYKL3MBTL1MAPK14CCNT1
SCHEMBL4115203 0.77 BTK (0.45) HTR1ASLC6A2SLC6A4CTSAL3MBTL1
SCHEMBL5702570 0.76 CA1 (0.50) NFE2L2SYKTDP1S100A4HKDC1
SCHEMBL29894839 0.76 CA1 (0.50) NFE2L2SYKTDP1S100A4HKDC1
SCHEMBL196734 0.76 CA1 (0.50) SLC6A2SLC6A4NFE2L2TDP1L3MBTL1

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-20140135328-A1 SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2014-05-15 — — US disclosed
US-20090111989-A1 ORGANIC LIGHT EMITTING MATERIALS WITH ANIONIC LIGAND THOMPSON MARK E 2009-04-30 — — US disclosed
US-7482451-B2 Organic light emitting materials with anionic ligand THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-01-27 — — US disclosed
EP-1539773-A2 ORGANIC LIGHT EMITTING MATERIALS WITH ANIONIC LIGAND UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2005-06-15 — — EP disclosed
US-20040102632-A1 Organic light emitting materials with anionic ligand UNIVERSITY OF SOUTHERN CALIFORNIA, THE 2004-05-27 — — US disclosed
WO-2004017043-A2 ORGANIC LIGHT EMITTING MATERIALS WITH ANIONIC LIGAND THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2004-02-26 — — 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 (3 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-20090111989-A1 ORGANIC LIGHT EMITTING MATERIALS WITH ANIONIC LIGAND MAP1LC3C, ORC3, EML4 HTR1A 3347/4885SLC6A2 2029/4885SLC6A4 1532/4885
US-20140135328-A1 SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS CTSL, CTSF, CTSV HTR1A 1787/4885SLC6A2 4470/4885SLC6A4 4421/4885
US-20040102632-A1 Organic light emitting materials with anionic ligand MAP1LC3C, ORC3, EML4 HTR1A 3347/4885SLC6A2 2029/4885SLC6A4 1532/4885

“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.