Sugi Predict

Sugi Predict / Compounds / SCHEMBL11244788

SCHEMBL11244788

SCHEMBL11244788

CC(=O)Nc1ccc(-c2ccc(C)cc2)cc1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.87
▸ SMN1; SMN2 Q16637 4/20 0.83
▸ HTT P42858 1/20 0.83
▸ L3MBTL1 Q9Y468 1/20 0.83
▸ KIF11 P52732 1/20 0.68
▸ PKM P14618 2/20 0.67
▸ KMT2A Q03164 6/20 0.59
▸ MEN1 O00255 5/20 0.59
▸ ALDH1A1 P00352 5/20 0.59
▸ MAPT P10636 3/20 0.59
▸ CA12 O43570 1/20 0.59
▸ BRD4 O60885 1/20 0.59
▸ NR1I2 O75469 1/20 0.59
▸ CA1 P00915 1/20 0.59
▸ CA2 P00918 1/20 0.59
▸ MB P02144 1/20 0.59
▸ CYP1A1 P04798 1/20 0.59
▸ CA3 P07451 1/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ RARG P13631 1/20 0.59

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
SCHEMBL61417 0.93 TDP1 (1.00) TDP1SMN1; SMN2HTTL3MBTL1PKM
SCHEMBL3818831 0.91 SMN1; SMN2 (1.00) TDP1SMN1; SMN2HTTL3MBTL1KMT2A
SCHEMBL16367729 0.89 NPC1 (0.76) TDP1SMN1; SMN2HTTL3MBTL1KIF11
SCHEMBL4647437 0.87 TDP1 (0.87) TDP1SMN1; SMN2HTTL3MBTL1PKM
SCHEMBL9762638 0.84 SMN1; SMN2 (0.86) TDP1SMN1; SMN2HTTL3MBTL1KMT2A
SCHEMBL861674 0.83 SMN1; SMN2 (0.84) TDP1SMN1; SMN2HTTL3MBTL1KMT2A
SCHEMBL171741 0.83 L3MBTL1 (0.83) TDP1SMN1; SMN2HTTL3MBTL1KMT2A
SCHEMBL2605857 0.83 KMT2A (0.87) TDP1SMN1; SMN2HTTL3MBTL1KMT2A
SCHEMBL14384400 0.82 TDP1 (0.77) TDP1SMN1; SMN2HTTL3MBTL1PKM
SCHEMBL5612841 0.82 TDP1 (0.77) TDP1SMN1; SMN2HTTL3MBTL1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10023610-B2 Ligands for prevention of neurotoxicity of the alzheimer's disease related amyloid-beta peptide ALPHABETA AB (SE) 2018-07-17 — — US disclosed
US-9783639-B2 Diamine compound, and polyamic acid and polyimide using the same PUSAN NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION (KR) 2017-10-10 — — US disclosed
US-20170058082-A1 Novel Diamine Compound, and Polyamic Acid and Polyimide Using the Same PUSAN NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION (KR) 2017-03-02 — — US disclosed
US-20160340387-A1 NOVEL LIGANDS FOR PREVENTION OF NEUROTOXICITY OF THE ALZHEIMER'S DISEASE RELATED AMYLOID-BETA PEPTIDE ALPHABETA AB (SE) 2016-11-24 — — US disclosed
US-20160340387-A1 NOVEL LIGANDS FOR PREVENTION OF NEUROTOXICITY OF THE ALZHEIMER'S DISEASE RELATED AMYLOID-BETA PEPTIDE ALPHABETA AB (SE) 2016-11-24 — — US disclosed
WO-2015107170-A1 NOVEL LIGANDS FOR PREVENTION OF NEUROTOXICITY OF THE ALZHEIMER'S DISEASE RELATED AMYLOID-BETA PEPTIDE ALPHABETA AB (SE) 2015-07-23 — — WO disclosed
US-20100216789-A1 RHO-KINASE INHIBITORS NAGARATHNAM DHANAPALAN 2010-08-26 — — US disclosed
US-20100216789-A1 RHO-KINASE INHIBITORS NAGARATHNAM DHANAPALAN 2010-08-26 — — US disclosed
US-7648986-B2 Substituted thieno[3,2-D]pyrimidines as Rho kinase inhibitors BAYER HEALTHCARE LLC (US) 2010-01-19 — — US disclosed
US-7648986-B2 Substituted thieno[3,2-D]pyrimidines as Rho kinase inhibitors BAYER HEALTHCARE LLC (US) 2010-01-19 — — US disclosed
EP-1465900-B1 RHO-KINASE INHIBITORS BAYER HEALTHCARE AG (DE) 2008-05-14 — — EP disclosed
WO-2008011551-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-24 — — WO disclosed
US-20070238741-A1 Hypertension, atherosclerosis, restenosis, cerebral ischemia, cerebral vasospasm, or erectile dysfunction; 2-(5-chloro-2-thienyl)-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidin-4-amine BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-10-11 — — US disclosed
US-20070238741-A1 Hypertension, atherosclerosis, restenosis, cerebral ischemia, cerebral vasospasm, or erectile dysfunction; 2-(5-chloro-2-thienyl)-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidin-4-amine BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-10-11 — — US disclosed
US-4346046-A FROM AMINOARYL-B-HYDROXYETHYLSULFONE AND SULFURIC ACID SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-08-24 — — 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 (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-10023610-B2 Ligands for prevention of neurotoxicity of the alzheimer's disease related amyloid-beta peptide APP, BACE1, PSEN1 TDP1 707/4885SMN1; SMN2 1191/4885HTT 27/4885
US-20170058082-A1 Novel Diamine Compound, and Polyamic Acid and Polyimide Using the Same PARG, PARN, PUF60 TDP1 1366/4885SMN1; SMN2 2933/4885HTT 1793/4885
US-20160340387-A1 NOVEL LIGANDS FOR PREVENTION OF NEUROTOXICITY OF THE ALZHEIMER'S DISEASE RELATED AMYLOID-BETA PEPTIDE APP, BACE1, PSEN1 TDP1 633/4885SMN1; SMN2 1205/4885HTT 36/4885
US-20100216789-A1 RHO-KINASE INHIBITORS CIT, ROCK1, ROCK2 TDP1 409/4885SMN1; SMN2 3619/4885HTT 3105/4885
US-20070238741-A1 Hypertension, atherosclerosis, restenosis, cerebral ischemia, cerebral vasospasm, or erectile dysfunction; 2-(5-chloro-2-thienyl)-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidin-4-amine CIT, PTGIS, PTGIR TDP1 252/4885SMN1; SMN2 2563/4885HTT 2655/4885

“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.