Sugi Predict

Sugi Predict / Compounds / SCHEMBL832322

SCHEMBL832322

SCHEMBL832322

C/C=C\c1ccc2c(c1)c(-c1cccnc1OC)c(C(=O)OCC)n2Cc1ccc(F)cc1F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ EED O75530 3/20 0.37
▸ SUZ12 Q15022 2/20 0.37
▸ EZH2 Q15910 2/20 0.37
▸ F2RL3 Q96RI0 2/20 0.37
▸ PTGDR2 Q9Y5Y4 2/20 0.36
▸ P2RX3 P56373 1/20 0.35
▸ GPR6 P46095 1/20 0.35
▸ CYP2C19 P33261 1/20 0.34
▸ GRM7 Q14831 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ HK1 P19367 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HKDC1 Q2TB90 1/20 0.34
▸ ELANE P08246 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
SCHEMBL832056 0.94 KMT2A (0.41) KMT2AMEN1EEDSUZ12EZH2
SCHEMBL832805 0.88 PKM (0.44) KMT2AMEN1EEDSUZ12EZH2
SCHEMBL832949 0.85 KMT2A (0.40) KMT2AMEN1EEDSUZ12EZH2
SCHEMBL12674044 0.85 KMT2A (0.39) KMT2AMEN1EEDSUZ12EZH2
SCHEMBL832534 0.84 KMT2A (0.38) KMT2AMEN1EEDSUZ12EZH2
SCHEMBL388003 0.84 KMT2A (0.38) KMT2AMEN1EEDSUZ12EZH2
SCHEMBL832012 0.84 KMT2A (0.38) KMT2AMEN1EEDSUZ12EZH2
SCHEMBL832321 0.83 F2RL3 (0.42) KMT2AMEN1EEDSUZ12EZH2
SCHEMBL387636 0.83 F2RL3 (0.43) KMT2AMEN1EEDSUZ12EZH2
SCHEMBL13905411 0.82 KMT2A (0.41) KMT2AMEN1PTGDR2CYP2C19ALDH1A1

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-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-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 2084/4885EED 1288/4885
US-20110104110-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, INMT KMT2A 537/4885MEN1 1783/4885EED 418/4885

“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.