Sugi Predict

Sugi Predict / Compounds / SCHEMBL753041

SCHEMBL753041

SCHEMBL753041

O=C(O)/C=C/c1ccc(Cl)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 8/20 0.49
▸ KDM4E B2RXH2 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ RAB9A P51151 3/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ PLAU P00749 1/20 0.45
▸ STAT1 P42224 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ P4HTM Q9NXG6 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ HDAC3 O15379 1/20 0.41
▸ TNKS O95271 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HCAR2 Q8TDS4 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41

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
SCHEMBL1124256 1.00 NFE2L2 (0.49) NFE2L2KDM4ELMNARAB9ANPC1
Trifluoroacetic Acid SCHEMBL732103 0.90 NFE2L2 (0.42) NFE2L2KDM4ELMNARAB9ANPC1
Trifluoroacetic Acid SCHEMBL732105 0.90 NFE2L2 (0.42) NFE2L2KDM4ELMNARAB9ANPC1
SCHEMBL4007882 0.86 EGLN1 (0.47) NFE2L2KDM4ELMNARAB9ANPC1
SCHEMBL5103902 0.86 EGLN1 (0.47) NFE2L2KDM4ELMNARAB9ANPC1
SCHEMBL751076 0.83 NFE2L2 (0.47) NFE2L2KDM4ELMNARAB9ANPC1
SCHEMBL3310811 0.79 NFE2L2 (0.47) NFE2L2KDM4ELMNARAB9ANPC1
SCHEMBL11660064 0.78 P4HTM (0.68) KDM4ELMNARAB9ASMN1; SMN2P4HTM
SCHEMBL11660063 0.78 P4HTM (0.68) KDM4ELMNARAB9ASMN1; SMN2P4HTM
SCHEMBL1914087 0.77 KDM4E (0.50) KDM4ELMNARAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10059698-B2 Hesperetin aza-cinnamic acid derivatives with anti-tumor activities and a method of preparing the same SHAANXI UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2018-08-28 — — US disclosed
US-20180186776-A1 HESPERETIN AZA-CINNAMIC ACID DERIVATIVES WITH ANTI-TUMOR ACTIVITIES AND A METHOD OF PREPARING THE SAME SHAANXI UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2018-07-05 — — US disclosed
EP-1989196-B1 PIPERIDINOYLPYRROLIDINES AS MELANOCORTIN TYPE 4 RECEPTOR AGONISTS PFIZER LTD (GB) 2013-02-13 — — EP disclosed
EP-1989196-B1 PIPERIDINOYLPYRROLIDINES AS MELANOCORTIN TYPE 4 RECEPTOR AGONISTS PFIZER LTD (GB) 2013-02-13 — — EP disclosed
US-8138188-B2 Melanocortin type 4 receptor agonist piperidinoylpyrrolidines PFIZER INC. (US) 2012-03-20 — — US disclosed
US-8138188-B2 Melanocortin type 4 receptor agonist piperidinoylpyrrolidines PFIZER INC. (US) 2012-03-20 — — US disclosed
US-20110281869-A1 TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS AISSAOUI HAMED (FR) 2011-11-17 — — US disclosed
EP-2282996-A1 TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS Actelion Pharmaceuticals Ltd. (CH) 2011-02-16 — — EP disclosed
WO-2009141782-A1 TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2009-11-26 — — WO disclosed
US-20090036459-A1 Melanocortin Type 4 Receptor Agonist Piperidinoylpyrrolidines PFIZER INC 2009-02-05 — — US disclosed
US-20090036459-A1 Melanocortin Type 4 Receptor Agonist Piperidinoylpyrrolidines PFIZER INC 2009-02-05 — — US disclosed
US-20090036459-A1 Melanocortin Type 4 Receptor Agonist Piperidinoylpyrrolidines PFIZER INC 2009-02-05 — — US disclosed
EP-1989196-A2 MELANOCORTIN TYPE 4 RECEPTOR AGONIST PIPERIDINOYLPYRROLIDINES Pfizer Limited (GB) 2008-11-12 — — EP disclosed
US-20080269233-A1 Piperidinoyl-Pyrrolidine and Piperidinoyl-Piperidine Compounds ANDREWS MARK DAVID 2008-10-30 — — US disclosed
US-20080269233-A1 Piperidinoyl-Pyrrolidine and Piperidinoyl-Piperidine Compounds ANDREWS MARK DAVID 2008-10-30 — — US disclosed
US-20080269233-A1 Piperidinoyl-Pyrrolidine and Piperidinoyl-Piperidine Compounds ANDREWS MARK DAVID 2008-10-30 — — US disclosed
WO-2007096763-A2 MELANOCORTIN TYPE 4 RECEPTOR AGONIST PIPERIDINOYLPYRROLIDINES PFIZER LIMITED (GB) 2007-08-30 — — WO disclosed
WO-2007096763-A2 MELANOCORTIN TYPE 4 RECEPTOR AGONIST PIPERIDINOYLPYRROLIDINES PFIZER LIMITED (GB) 2007-08-30 — — WO disclosed
WO-2007015162-A1 PIPERIDINOYL-PYRROLIDINE AND PIPERIDINOYL-PIPERIDINE COMPOUNDS PFIZER LIMITED (GB) 2007-02-08 — — 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 (5 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-20090036459-A1 Melanocortin Type 4 Receptor Agonist Piperidinoylpyrrolidines MC4R, MC5R, MC3R NFE2L2 2931/4885KDM4E 1225/4885LMNA 4738/4885
US-10059698-B2 Hesperetin aza-cinnamic acid derivatives with anti-tumor activities and a method of preparing the same HES1, CYP51A1, NISCH NFE2L2 356/4885KDM4E 438/4885LMNA 1102/4885
US-20080269233-A1 Piperidinoyl-Pyrrolidine and Piperidinoyl-Piperidine Compounds GPR4, GPR119, PRLHR NFE2L2 4339/4885KDM4E 864/4885LMNA 4432/4885
US-20110281869-A1 TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS QTRT2, RECQL, QTRT1 NFE2L2 531/4885KDM4E 1537/4885LMNA 1932/4885
US-20180186776-A1 HESPERETIN AZA-CINNAMIC ACID DERIVATIVES WITH ANTI-TUMOR ACTIVITIES AND A METHOD OF PREPARING THE SAME HES1, CYP51A1, NISCH NFE2L2 356/4885KDM4E 438/4885LMNA 1102/4885

“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.