Sugi Predict

Sugi Predict / Compounds / SCHEMBL419202

SCHEMBL419202

SCHEMBL419202

O=C(Nc1nccs1)c1ccccc1F

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.71
▸ NPC1 O15118 5/20 0.69
▸ RAB9A P51151 5/20 0.69
▸ SMN1; SMN2 Q16637 3/20 0.69
▸ ALDH1A1 P00352 3/20 0.69
▸ GAA P10253 3/20 0.69
▸ HTT P42858 1/20 0.67
▸ HPGD P15428 2/20 0.64
▸ PKM P14618 1/20 0.64
▸ LMNA P02545 1/20 0.61
▸ METAP2 P50579 1/20 0.61
▸ METAP1 P53582 1/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.61
▸ ALOX15 P16050 1/20 0.61
▸ MAPK1 P28482 1/20 0.61
▸ MGAM O43451 1/20 0.60
▸ SI P14410 1/20 0.60
▸ MGAM2 Q2M2H8 1/20 0.60
▸ KDM4E B2RXH2 1/20 0.57
▸ MEN1 O00255 1/20 0.57

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
SCHEMBL4290305 0.90 ADORA2A (0.74) CYP1A2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4965216 0.88 CYP1A2 (0.63) CYP1A2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3278951 0.83 CYP1A2 (0.73) CYP1A2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5206561 0.83 CYP1A2 (1.00) CYP1A2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL10201677 0.83 NPC1 (0.60) CYP1A2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL24072353 0.82 CYP3A4 (0.81) CYP1A2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL30339352 0.82 NPC1 (1.00) CYP1A2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL30339046 0.82 CYP3A4 (0.81) CYP1A2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL24074621 0.82 NPC1 (1.00) CYP1A2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL27702357 0.82 NPC1 (0.72) CYP1A2NPC1RAB9ASMN1; SMN2ALDH1A1

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
EP-3500259-A1 THIOHYDANTOIN ANDROGEN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CANCER Janssen Pharmaceutica NV (BE) 2019-06-26 — — EP disclosed
WO-2018037342-A1 THIOHYDANTOIN ANDROGEN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2018-03-01 — — WO disclosed
US-8106048-B2 protozoal infestations in humans and animals, by bacteria, viruses or proteinaceous agents; neurological diseases or disorders; ischemia and/or reperfusion injury; 4-(4-Ethoxycarbonyl-4,5-dihydro-thiazol-2-yl)-piperidine-1-carboxylic acid t-butyl ester 4SC AG (DE) 2012-01-31 — — US disclosed
US-20120022068-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS 4SC AG (DE) 2012-01-26 — — US disclosed
WO-2011145035-A1 NOVEL 3,5-DISUBSTITUED-3H-IMIDAZO[4,5-B]PYRIDINE AND 3,5- DISUBSTITUED -3H-[1,2,3]TRIAZOLO[4,5-B] PYRIDINE COMPOUNDS AS MODULATORS OF PROTEIN KINASES INDIAN INCOZEN THERAPEUTICS PVT. LTD. (IN) 2011-11-24 — — WO disclosed
US-20100267717-A1 Novel Heterocyclic NF-kB Inhibitors 4SC AG (DE) 2010-10-21 — — US disclosed
US-7812041-B2 Heterocyclic NF-κB inhibitors 4SC AG (DE) 2010-10-12 — — US disclosed
US-20100048583-A1 Novel Heterocyclic NF-kB Inhibitors 4SC AG (DE) 2010-02-25 — — US disclosed
US-20100048574-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS 4SC AG (DE) 2010-02-25 — — US disclosed
US-20100004258-A1 Novel Heterocyclic NF-kB Inhibitors 4SC AG (DE) 2010-01-07 — — US disclosed
US-7601745-B2 Heterocyclic NF-kB inhibitors 4SC AG (DE) 2009-10-13 — — US disclosed
US-20080261971-A1 Novel Heterocyclic Nf-Kb Inhibitors 4SC AG (DE) 2008-10-23 — — US disclosed
CN-101175737-A Pro-drugs of N-thiazol-2yl-benzamide derivatives LUNDBECK & CO AS H (DK) 2008-05-07 — — CN disclosed
US-20060247253-A1 Novel heterocyclic NF-kB inhibitors 4 SC AG (DE) 2006-11-02 — — US disclosed
US-20060069102-A1 Novel heterocyclic NF-kB inhibitors 4 SC AG (DE) 2006-03-30 — — 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 (8 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-20100267717-A1 Novel Heterocyclic NF-kB Inhibitors NFKB2, NFKBIA, NFRKB CYP1A2 2166/4885NPC1 2626/4885RAB9A 3958/4885
US-20100048574-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS NFKBIA, IKBKB, NFKB2 CYP1A2 2174/4885NPC1 1036/4885RAB9A 2004/4885
US-20060247253-A1 Novel heterocyclic NF-kB inhibitors NFKBIA, NFRKB, NFKB2 CYP1A2 2569/4885NPC1 2164/4885RAB9A 3322/4885
US-20100048583-A1 Novel Heterocyclic NF-kB Inhibitors NFKBIA, NFKB2, NFRKB CYP1A2 3847/4885NPC1 2249/4885RAB9A 3857/4885
US-20120022068-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS NFKB2, NFKBIA, NFRKB CYP1A2 2166/4885NPC1 2626/4885RAB9A 3958/4885
US-20080261971-A1 Novel Heterocyclic Nf-Kb Inhibitors NFKBIA, NFKB2, NFRKB CYP1A2 3922/4885NPC1 2327/4885RAB9A 3984/4885
US-20100004258-A1 Novel Heterocyclic NF-kB Inhibitors NFKBIA, IKBKB, NFKB2 CYP1A2 2448/4885NPC1 1090/4885RAB9A 1824/4885
US-20060069102-A1 Novel heterocyclic NF-kB inhibitors NFKBIA, NFKB2, NFRKB CYP1A2 3771/4885NPC1 2022/4885RAB9A 4005/4885

“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.