Sugi Predict

Sugi Predict / Compounds / SCHEMBL5873486

SCHEMBL5873486

SCHEMBL5873486

Cc1cc(Cl)nc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ HIF1A Q16665 1/20 0.54
▸ KMT2A Q03164 6/20 0.53
▸ MEN1 O00255 5/20 0.53
▸ OPRK1 P41145 1/20 0.52
▸ ACHE P22303 1/20 0.50
▸ ALDH1A1 P00352 4/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ HTT P42858 1/20 0.48
▸ TDP1 Q9NUW8 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ NPBWR1 P48145 1/20 0.46

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
SCHEMBL10076712 0.88 ACHE (0.50) KDM4ECYP3A4CYP2C19HIF1AKMT2A
SCHEMBL6848360 0.84 KMT2A (0.55) KMT2AMEN1ACHEALDH1A1SMN1; SMN2
SCHEMBL4658369 0.84 KMT2A (0.55) KMT2AMEN1OPRK1ACHEALDH1A1
SCHEMBL30894837 0.84 KMT2A (0.55) KMT2AMEN1OPRK1ACHEALDH1A1
SCHEMBL5873698 0.82 KMT2A (0.50) KDM4EKMT2AMEN1OPRK1ACHE
SCHEMBL5909911 0.81 MEN1 (0.56) KMT2AMEN1ACHEALDH1A1SMN1; SMN2
SCHEMBL30894816 0.81 ALDH1A1 (0.67) KMT2AMEN1OPRK1ACHEALDH1A1
SCHEMBL5873652 0.79 KMT2A (0.51) KMT2AMEN1OPRK1ACHEALDH1A1
SCHEMBL6505699 0.78 KMT2A (0.63) KMT2AMEN1OPRK1ACHEALDH1A1
SCHEMBL3763346 0.78 LMNA (0.58) KMT2AMEN1OPRK1ACHEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240199636-A1 Inhibitors of RAD52 Recombination Protein and Methods Using Same UNIV DREXEL (US) 2024-06-20 — — US disclosed
US-20210040108-A1 Inhibitors of RAD52 Recombination Protein and Methods Using Same UNIV DREXEL (US) 2021-02-11 — — US disclosed
US-10738061-B2 Inhibitors of RAD52 recombination protein and methods using same DREXEL UNIVERSITY (US) 2020-08-11 — — US disclosed
US-10442817-B2 Inhibitors of RAD52 recombination protein and methods using same DREXEL UNIVERSITY (US) 2019-10-15 — — US disclosed
US-20180134727-A1 Inhibitors of RAD52 Recombination Protein and Methods Using Same DREXEL UNIVERSITY (US) 2018-05-17 — — US disclosed
US-20180134727-A1 Inhibitors of RAD52 Recombination Protein and Methods Using Same DREXEL UNIVERSITY (US) 2018-05-17 — — US disclosed
WO-2016196955-A1 Inhibitors of RAD52 Recombination Protein and Methods Using Same DREXEL UNIVERSITY (US) 2016-12-08 — — WO disclosed
US-7084156-B2 2-Aminoquinoline compounds MERCK & CO., INC. (US) 2006-08-01 — — US disclosed
US-20060111357-A1 Quinoline compounds for use in mch receptor related disorders 7TM PHARMA A/S (DK) 2006-05-25 — — US disclosed
EP-1572212-A2 QUINOLINE COMPOUNDS FOR USE IN MCH RECEPTOR RELATED DISORDERS 7TM Pharma A/S (DK) 2005-09-14 — — EP disclosed
WO-2005035521-A1 SUBSTITUTED QUINOLINES AS MCR MODULATORS ARGENTA DISCOVERY LTD. (GB) 2005-04-21 — — WO disclosed
US-20050026915-A1 2-Aminoquinoline compounds MERCK SHARP & DOHME CORP. 2005-02-03 — — US disclosed
EP-1450801-A2 2-AMINOQUINOLINE COMPOUNDS Merck & Co., Inc. (US) 2004-09-01 — — EP disclosed
WO-2004052371-A2 CYCLIC QUINOLINE COMPOUNDS FOR USE IN MCH RECEPTOR RELATED DISORDERS 7TM PHARMA A/S (DK) 2004-06-24 — — WO disclosed
WO-2004052370-A2 QUINOLINE COMPOUNDS FOR USE IN MCH RECEPTOR RELATED DISORDERS 7TM PHARMA A/S (DK) 2004-06-24 — — WO disclosed
WO-2003045313-A2 2-AMINOQUINOLINE COMPOUNDS MERCK & CO. INC. (US) 2003-06-05 — — WO disclosed
EP-0174833-A2 Triazoloquinoline derivatives MAY & BAKER LIMITED (GB) 1986-03-19 — — EP 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 (7 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-20060111357-A1 Quinoline compounds for use in mch receptor related disorders MCHR2, MCHR1, MC1R KDM4E 1868/4885CYP3A4 2568/4885CYP2C19 2454/4885
US-20210040108-A1 Inhibitors of RAD52 Recombination Protein and Methods Using Same RAD52, RAD50, MRE11 KDM4E 1934/4885CYP3A4 4031/4885CYP2C19 3862/4885
US-10738061-B2 Inhibitors of RAD52 recombination protein and methods using same RAD52, RAD50, MRE11 KDM4E 1934/4885CYP3A4 4031/4885CYP2C19 3862/4885
US-20180134727-A1 Inhibitors of RAD52 Recombination Protein and Methods Using Same RAD52, RAD50, MRE11 KDM4E 1934/4885CYP3A4 4031/4885CYP2C19 3862/4885
US-20240199636-A1 Inhibitors of RAD52 Recombination Protein and Methods Using Same RAD52, RAD50, MRE11 KDM4E 1934/4885CYP3A4 4031/4885CYP2C19 3862/4885
US-10442817-B2 Inhibitors of RAD52 recombination protein and methods using same RAD52, RAD50, MRE11 KDM4E 1934/4885CYP3A4 4031/4885CYP2C19 3862/4885
US-20050026915-A1 2-Aminoquinoline compounds MCHR1, MCHR2, MC5R KDM4E 822/4885CYP3A4 1195/4885CYP2C19 687/4885

“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.