Sugi Predict

Sugi Predict / Compounds / SCHEMBL832534

SCHEMBL832534

SCHEMBL832534

CCOC(=O)c1c(-c2cccnc2OC)c2cc(C3CC3C)ccc2n1Cc1ccc(F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ F2RL3 Q96RI0 2/20 0.36
▸ GPR6 P46095 1/20 0.35
▸ EED O75530 3/20 0.35
▸ SUZ12 Q15022 2/20 0.35
▸ EZH2 Q15910 2/20 0.35
▸ P2RX3 P56373 1/20 0.35
▸ GRM7 Q14831 1/20 0.34
▸ PTGDR2 Q9Y5Y4 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NAAA Q02083 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ KDM1A O60341 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33

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
SCHEMBL832012 1.00 KMT2A (0.38) KMT2AMEN1ALDH1A1TDP1F2RL3
SCHEMBL388003 1.00 KMT2A (0.38) KMT2AMEN1ALDH1A1TDP1F2RL3
SCHEMBL832829 0.94 KMT2A (0.38) KMT2AMEN1EEDSUZ12EZH2
SCHEMBL3689437 0.94 KMT2A (0.38) KMT2AMEN1EEDSUZ12EZH2
SCHEMBL832839 0.94 KMT2A (0.38) KMT2AMEN1EEDSUZ12EZH2
SCHEMBL832326 0.91 GPR6 (0.37) KMT2AMEN1F2RL3GPR6P2RX3
SCHEMBL3693520 0.91 GPR6 (0.37) KMT2AMEN1F2RL3GPR6P2RX3
SCHEMBL13905143 0.90 MEN1 (0.38) KMT2AMEN1ALDH1A1TDP1F2RL3
SCHEMBL832805 0.87 PKM (0.44) KMT2AMEN1ALDH1A1TDP1F2RL3
SCHEMBL12624289 0.85 HTR2A (0.36) PTGDR2HTR2AHTR2CHTR2BKDM1A

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-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 — — US disclosed
US-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 — — US disclosed
US-20110104110-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF SHERING CORPORATION 2011-05-05 — — US disclosed
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-02-10 — — US disclosed
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-02-10 — — 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-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 KMT2A 321/4885MEN1 2084/4885ALDH1A1 1792/4885
US-20110104110-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, INMT KMT2A 537/4885MEN1 1783/4885ALDH1A1 800/4885

“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.