Sugi Predict

Sugi Predict / Compounds / SCHEMBL901020

SCHEMBL901020

SCHEMBL901020

Cc1cccc2sc(-c3cccc(-c4ccccc4)c3C(F)(F)F)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 3/20 0.43
▸ CD274 Q9NZQ7 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ AGPAT2 O15120 1/20 0.39
▸ ENPP1 P22413 3/20 0.39
▸ PKM P14618 1/20 0.39
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ HTT P42858 1/20 0.36
▸ TP53 P04637 2/20 0.35
▸ MAPT P10636 4/20 0.35
▸ APP P05067 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL900779 0.82 ALDH1A1 (0.47) ALDH1A1AGPAT2PKMMEN1KMT2A
SCHEMBL901023 0.79 ENPP1 (0.41) ENPP1MAPTRETFLT1KDR
SCHEMBL900790 0.79 ALDH1A1 (0.56) PDCD1CD274ALDH1A1AGPAT2PKM
SCHEMBL28128565 0.78 ALDH1A1 (0.51) ALDH1A1AGPAT2PKMMEN1KMT2A
SCHEMBL28957333 0.76 ALDH1A1 (0.50) PDCD1CD274ALDH1A1AGPAT2PKM
SCHEMBL900653 0.76 F2RL3 (0.47) ALDH1A1AGPAT2MEN1KMT2AMAPT
SCHEMBL5591850 0.75 APP (0.44) ALDH1A1PKMMEN1KMT2AMAPT
SCHEMBL10779720 0.75 ALDH1A1 (0.61) PDCD1CD274ALDH1A1AGPAT2PKM
SCHEMBL3922398 0.74 APP (0.48) ALDH1A1AGPAT2MEN1KMT2ATP53
SCHEMBL24252550 0.74 HSD11B1 (0.40) PDCD1CD274ALDH1A1ENPP1MAPT

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-9029357-B2 Benzazole derivatives as histamine H4 receptor ligands BIOPROJET (FR) 2015-05-12 — — US disclosed
US-20150004181-A1 Benzazole Derivatives as Histamine H4 Receptor Ligands BIOPROJET SOC CIV (FR) 2015-01-01 — — US disclosed
US-8802664-B2 Benzazole derivatives as histamine H4 receptor ligands BIOPROJECT (FR) 2014-08-12 — — US disclosed
US-20130231329-A1 Benzazole Derivatives as Histamine H4 Receptor Ligands BIOPROJET (FR) 2013-09-05 — — US disclosed
EP-2621916-A1 BENZAZOLE DERIVATIVES AS HISTAMINE H4 RECEPTOR LIGANDS BIOPROJET (FR) 2013-08-07 — — EP disclosed
WO-2012041860-A1 BENZAZOLE DERIVATIVES AS HISTAMINE H4 RECEPTOR LIGANDS BIOPROJET (FR) 2012-04-05 — — 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 (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-20150004181-A1 Benzazole Derivatives as Histamine H4 Receptor Ligands HRH4, HRH3, HRH2 PDCD1 1470/4885CD274 488/4885ALDH1A1 2893/4885
US-20130231329-A1 Benzazole Derivatives as Histamine H4 Receptor Ligands HRH4, HRH3, HRH2 PDCD1 1984/4885CD274 654/4885ALDH1A1 1305/4885

“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.