Sugi Predict

Sugi Predict / Compounds / SCHEMBL12401191

SCHEMBL12401191

SCHEMBL12401191

c1cc2c(c3c1CNC3)OCCO2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 P08588 1/20 0.37
▸ CD274 Q9NZQ7 1/20 0.34
▸ USP9X Q93008 1/20 0.34
▸ ITGB2 P05107 1/20 0.33
▸ ICAM1 P05362 1/20 0.33
▸ ITGAL P20701 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ OXTR P30559 1/20 0.33
▸ ADRA2A P08913 2/20 0.33
▸ ADRA2C P18825 2/20 0.33
▸ ADRA1D P25100 2/20 0.33
▸ ADRA1A P35348 2/20 0.33
▸ ADRA1B P35368 2/20 0.33
▸ ADRA2B P18089 1/20 0.32
▸ ACACB O00763 1/20 0.30
▸ HTT P42858 2/20 0.30
▸ KDM4E B2RXH2 2/20 0.30
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL12401182 0.93 HTR2A (0.32) ADRB1CD274USP9XHTR2AHTR2C
SCHEMBL12401189 0.85 CHRNB2 (0.42) OXTRKDM4EALDH1A1HSD17B10LMNA
SCHEMBL17585073 0.84 CD274 (0.43) ADRB1CD274HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL23887008 0.83 CHRNB2 (0.41) OXTRKDM4EALDH1A1HSD17B10LMNA
Hydrochloric Acid SCHEMBL30370507 0.83 CHRNB2 (0.41) OXTRKDM4EALDH1A1HSD17B10LMNA
Hydrochloric Acid SCHEMBL17583899 0.82 CD274 (0.42) ADRB1CD274HTR2AHTR2CHTR2B
SCHEMBL4701400 0.75 GRIA2 (0.35) ADRB1ADRA2AADRA2CADRA1DADRA1A
SCHEMBL3872994 0.69 PNMT (0.46) ADRA2AADRA2CADRA2B
SCHEMBL15657240 0.68 LMNA (0.42) ITGB2ICAM1ITGALACACBHTT
SCHEMBL12401236 0.68 CD274 (0.40) CD274ITGB2ICAM1ITGALOXTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2528922-B1 POLYHETEROCYCLIC COMPOUNDS AS HCV INHIBITORS AB PHARMA LTD (CN) 2017-08-02 — — EP disclosed
US-8815796-B2 Polyheterocyclic compounds highly potent as HCV inhibitors AB Pharma Ltd. (CN) 2014-08-26 — — US disclosed
US-8815796-B2 Polyheterocyclic compounds highly potent as HCV inhibitors AB Pharma Ltd. (CN) 2014-08-26 — — US disclosed
US-8653025-B2 Polyheterocyclic compounds highly potent as HCV inhibitors AB Pharma Ltd. (CN) 2014-02-18 — — US disclosed
US-8653025-B2 Polyheterocyclic compounds highly potent as HCV inhibitors AB Pharma Ltd. (CN) 2014-02-18 — — US disclosed
WO-2011091757-A1 POLYHETEROCYCLIC COMPOUNDS HIGHLY POTENT AS HCV INHIBITORS AB Pharma Ltd. (CN) 2011-08-04 — — WO disclosed
US-20110183895-A1 POLYHETEROCYCLIC COMPOUNDS HIGHLY POTENT AS HCV INHIBITORS AB Pharma Ltd. (CN) 2011-07-28 — — US disclosed
US-20110183895-A1 POLYHETEROCYCLIC COMPOUNDS HIGHLY POTENT AS HCV INHIBITORS AB Pharma Ltd. (CN) 2011-07-28 — — 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 (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-20110183895-A1 POLYHETEROCYCLIC COMPOUNDS HIGHLY POTENT AS HCV INHIBITORS HAVCR2, ZC3HAV1, EIF2AK2 ADRB1 4073/4885CD274 2852/4885USP9X 2008/4885

“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.