SCHEMBL678243

SCHEMBL678243

O=C(O)c1ccc(/N=C/c2c3ccccc3cc3ccccc23)cc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 9/20 0.55
▸ MEN1 O00255 6/20 0.55
▸ HKDC1 Q2TB90 1/20 0.55
▸ GAA P10253 2/20 0.51
▸ MAPT P10636 6/20 0.50
▸ ALDH1A1 P00352 2/20 0.49
▸ POLB P06746 4/20 0.48
▸ HTT P42858 2/20 0.48
▸ PLEC Q15149 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ BLM P54132 1/20 0.48
▸ CASP6 P55212 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ LMNA P02545 2/20 0.46
▸ LDHA P00338 1/20 0.45
▸ CDK4 P11802 1/20 0.45
▸ CCND1 P24385 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ USP2 O75604 1/20 0.44

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
SCHEMBL678244 1.00 KMT2A (0.55) KMT2AMEN1HKDC1GAAMAPT
SCHEMBL28985920 0.89 KMT2A (0.51) KMT2AMEN1HKDC1GAAMAPT
SCHEMBL28985919 0.77 KMT2A (0.57) KMT2AMEN1HKDC1GAAMAPT
SCHEMBL4912911 0.77 KMT2A (0.57) KMT2AMEN1HKDC1GAAMAPT
SCHEMBL4912916 0.77 KMT2A (0.57) KMT2AMEN1HKDC1GAAMAPT
SCHEMBL1720334 0.76 CA2 (0.54) KMT2AMEN1GAAMAPTALDH1A1
SCHEMBL22502063 0.74 ALDH1A1 (0.53) KMT2AMEN1GAAMAPTALDH1A1
SCHEMBL3917470 0.74 KMT2A (0.67) KMT2AMEN1HKDC1GAAMAPT
SCHEMBL3917467 0.74 KMT2A (0.67) KMT2AMEN1HKDC1GAAMAPT
SCHEMBL6647048 0.73 ACHE (0.41) KMT2AMEN1HKDC1GAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120010233-A1 METHODS AND COMPOSITIONS TO INHIBIT EDEMA FACTOR AND ADENYLYL CYCLASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS (US) 2012-01-12 — — US disclosed
US-20120010233-A1 METHODS AND COMPOSITIONS TO INHIBIT EDEMA FACTOR AND ADENYLYL CYCLASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS (US) 2012-01-12 — — US disclosed
US-20120010233-A1 METHODS AND COMPOSITIONS TO INHIBIT EDEMA FACTOR AND ADENYLYL CYCLASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS (US) 2012-01-12 — — US disclosed
US-8003692-B2 Methods and compositions to inhibit edema factor and adenylyl cyclase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-08-23 — — US disclosed
US-8003692-B2 Methods and compositions to inhibit edema factor and adenylyl cyclase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-08-23 — — US disclosed
US-8003692-B2 Methods and compositions to inhibit edema factor and adenylyl cyclase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-08-23 — — US disclosed
EP-2166841-A2 METHODS AND COMPOSITIONS TO INHIBIT EDEMA FACTOR AND ADENYLYL CYCLASE Mission Pharmacal Company (US) 2010-03-31 — — EP disclosed
US-20090093519-A1 Methods and Compositions to Inhibit Edema Factor and Adenylyl Cyclase MISSION PHARMACAL CO. (US) 2009-04-09 — — US disclosed
US-20090093519-A1 Methods and Compositions to Inhibit Edema Factor and Adenylyl Cyclase MISSION PHARMACAL CO. (US) 2009-04-09 — — US disclosed
US-20090093519-A1 Methods and Compositions to Inhibit Edema Factor and Adenylyl Cyclase MISSION PHARMACAL CO. (US) 2009-04-09 — — US disclosed
WO-2009038842-A2 METHODS AND COMPOSITIONS TO INHIBIT EDEMA FACTOR AND ADENYLYL CYCLASE MISSION PHARMACAL CO. (US) 2009-03-26 — — WO disclosed
WO-2009038842-A2 METHODS AND COMPOSITIONS TO INHIBIT EDEMA FACTOR AND ADENYLYL CYCLASE MISSION PHARMACAL CO. (US) 2009-03-26 — — 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-20090093519-A1 Methods and Compositions to Inhibit Edema Factor and Adenylyl Cyclase VIP, PDE3B, ADCY5 KMT2A 4847/4885MEN1 3097/4885HKDC1 3243/4885
US-20120010233-A1 METHODS AND COMPOSITIONS TO INHIBIT EDEMA FACTOR AND ADENYLYL CYCLASE VIP, PDE3B, ADCY5 KMT2A 4847/4885MEN1 3097/4885HKDC1 3243/4885

“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.

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