Sugi Predict

Sugi Predict / Compounds / SCHEMBL305860

SCHEMBL305860

SCHEMBL305860

O=C1NCCN1c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.55
▸ POLB P06746 1/20 0.55
▸ RAB9A P51151 1/20 0.46
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ GFER P55789 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ MGLL Q99685 1/20 0.42
▸ KCNH2 Q12809 1/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ ALOX5 P09917 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ EIF2AK2 P19525 1/20 0.39
▸ SCN9A Q15858 1/20 0.39
▸ DDB1 Q16531 1/20 0.39
▸ CRBN Q96SW2 1/20 0.39

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
Oxalic Acid SCHEMBL9201346 0.91 ALDH1A1 (0.47) ALDH1A1POLBRAB9ALMNAMAPT
SCHEMBL1259982 0.90 ALDH1A1 (0.46) ALDH1A1POLBRAB9ALMNAMAPT
SCHEMBL4667907 0.83 EIF2AK2 (0.39) ALDH1A1POLBRAB9ALMNAALOX5
SCHEMBL4712786 0.83 DDB1 (0.56) ALDH1A1POLBRAB9ALMNAMAPT
SCHEMBL2307065 0.82 GAA (0.46) ALDH1A1POLBRAB9ALMNA
SCHEMBL2199529 0.82 KMT2A (0.41) ALDH1A1POLBLMNAMAPTMAPK1
SCHEMBL3858961 0.82 EIF2AK2 (0.39) ALDH1A1POLBRAB9ALMNAALOX5
SCHEMBL19604817 0.82 EIF2AK2 (0.39) ALDH1A1POLBRAB9ALMNAALOX5
SCHEMBL2723456 0.82 HTR3E (0.47) ALDH1A1POLBLMNAMGLLDRD2
SCHEMBL4626160 0.82 FAAH (0.41) ALDH1A1POLBRAB9ALMNAMGLL

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10202388-B2 Fused-ring compounds, pharmaceutical composition and uses thereof Shanghai De Novo Pharmatech Co., Ltd. (CN) 2019-02-12 — — US disclosed
US-20180022752-A1 FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF Shanghai De Novo Pharmatech Co., Ltd. (CN) 2018-01-25 — — US disclosed
WO-2016131380-A1 FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF SHANGHAI DE NOVO PHARMATECH CO.,LTD. (CN) 2016-08-25 — — WO disclosed
EP-2499121-B1 OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS. HOFFMANN LA ROCHE (CH) 2015-10-07 — — EP disclosed
CN-101796055-B Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC 2013-09-04 — — CN disclosed
US-8445509-B2 Fused heterocyclic derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-21 — — US disclosed
US-8354441-B2 Oxazoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-01-15 — — US disclosed
US-8329726-B2 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-12-11 — — US disclosed
US-8329726-B2 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-12-11 — — US disclosed
US-8329726-B2 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-12-11 — — US disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 — — US disclosed
WO-2006027211-A1 2,4-SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2006-03-16 — — WO disclosed
WO-2006027211-A1 2,4-SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2006-03-16 — — WO disclosed
WO-2005108373-A1 NOVEL BETA AGONISTS, METHOD FOR PRODUCING THE SAME AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-17 — — WO disclosed
US-20050245526-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 — — US disclosed
US-6706739-B2 TREATING ENTEROVIRUS INFECTION NATIONAL HEALTH RESEARCH INSTITUTE (TW) 2004-03-16 — — US disclosed
US-20030087936-A1 Imidazolidinone compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2003-05-08 — — US disclosed
EP-0060610-A1 Hexahydro-trans- and tetrahydropyridoindole neuroleptic agents PFIZER INC. (US) 1982-09-22 — — EP disclosed
US-4058617-A BACTERICIDES, AMOBICIDES, SCHISTOSOMES, FILARIAE, TRICHOMONADES CIBA-GEIGY CORPORATION (US) 1977-11-15 — — US disclosed
US-3998952-A AMOEBICIDES, BACTERICIDES, FUNGICIDES CIBA-GEIGY CORPORATION (US) 1976-12-21 — — 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-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling HGF, MET, FLT1 ALDH1A1 1649/4885POLB 1325/4885RAB9A 2065/4885
US-10202388-B2 Fused-ring compounds, pharmaceutical composition and uses thereof IDO1, IDO2, TDO2 ALDH1A1 2128/4885POLB 3403/4885RAB9A 1117/4885
US-20180022752-A1 FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF IDO1, IDO2, TDO2 ALDH1A1 2128/4885POLB 3403/4885RAB9A 1117/4885
US-20050245526-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions ADRB1, ADRB3, ADRB2 ALDH1A1 674/4885POLB 1881/4885RAB9A 1626/4885
US-20030087936-A1 Imidazolidinone compounds EIF2AK2, ZC3HAV1, EMG1 ALDH1A1 4065/4885POLB 2730/4885RAB9A 681/4885

“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.