SCHEMBL4179731

SCHEMBL4179731

Fc1ccc(-c2cn[c]o2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TDO2 P48775 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 2/20 0.34
NOTUM Q6P988 2/20 0.34
TSHR P16473 2/20 0.33
TP53 P04637 2/20 0.33
MAOB P27338 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33

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
SCHEMBL2092228 0.79 METAP2 (0.34)
SCHEMBL2750506 0.79 NOTUM (0.37) NPC1RAB9AALDH1A1CYP1A2CYP2C9
SCHEMBL500129 0.78 ALOX15 (0.41) NPC1RAB9AKDM4EALDH1A1CYP2D6
SCHEMBL9955989 0.77 NR4A1 (0.41) KDM4ENOTUMTP53GABRPGABRD
SCHEMBL2752150 0.73 SLC9A1 (0.36) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL2752821 0.71 NOTUM (0.44) NOTUMAR
SCHEMBL2752047 0.71 AHR (0.46) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL2751461 0.69 PDE4B (0.32) NPC1RAB9ALMNA
SCHEMBL9956189 0.68 NOTUM (0.38) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL2753597 0.67 S1PR1 (0.34) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3880051-B2 2007-02-14 JP claimed
US-7138400-B2 Sulfamides as gamma-secretase inhibitors MERCK SHARP & DOHME LIMITED (GB) 2006-11-21 US claimed
EP-1334085-B1 SULFAMIDES AS GAMMA-SECRETASE INHIBITORS MERCK SHARP & DOHME (GB) 2005-08-24 EP claimed
JP-2004513108-A 2004-04-30 JP claimed
US-20040049038-A1 Sulfamides as gamma-secretase inhibitors MERCK SHARP & DOHME (UK) LIMITED (GB) 2004-03-11 US claimed
EP-1334085-A1 SULFAMIDES AS GAMMA-SECRETASE INHIBITORS MERCK SHARP & DOHME LTD. (GB) 2003-08-13 EP claimed
WO-2002036555-A1 SULFAMIDES AS GAMMA-SECRETASE INHIBITORS MERCK SHARP & DOHME LIMITED (GB) 2002-05-10 WO claimed
US-8242103-B2 Sulphamides for treatment of cancer MERCK SHARP & DOHME LIMITED (GB) 2012-08-14 US disclosed
WO-2012085852-A1 3,8-DIAZA-BICYCLO[4.2.0]OCT-8-YL AMIDES ACTELION PHARMACEUTICALS LTD (CH) 2012-06-28 WO disclosed
WO-2012085857-A1 3,8-DIAZA-BICYCLO[4.2.0]OCT-3-YL AMIDES ACTELION PHARMACEUTICALS LTD (CH) 2012-06-28 WO disclosed
US-20090197904-A1 Sulphamides for Treatment of Cancer MERCK SHARP & DOHME (UK) LIMITED (GB) 2009-08-06 US disclosed
EP-1885349-A2 SULPHAMIDES FOR TREATMENT OF CANCER Merck Sharp & Dohme Limited (GB) 2008-02-13 EP disclosed
WO-2006123185-A2 SULPHAMIDES FOR TREATMENT OF CANCER MERCK SHARP & DOHME LIMITED (GB) 2006-11-23 WO disclosed
US-7138400-B2 Sulfamides as gamma-secretase inhibitors MERCK SHARP & DOHME LIMITED (GB) 2006-11-21 US disclosed
EP-1334085-B1 SULFAMIDES AS GAMMA-SECRETASE INHIBITORS MERCK SHARP & DOHME (GB) 2005-08-24 EP disclosed
US-20040049038-A1 Sulfamides as gamma-secretase inhibitors MERCK SHARP & DOHME (UK) LIMITED (GB) 2004-03-11 US disclosed
EP-1334085-A1 SULFAMIDES AS GAMMA-SECRETASE INHIBITORS MERCK SHARP & DOHME LTD. (GB) 2003-08-13 EP disclosed
WO-2002036555-A1 SULFAMIDES AS GAMMA-SECRETASE INHIBITORS MERCK SHARP & DOHME LIMITED (GB) 2002-05-10 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-20090197904-A1 Sulphamides for Treatment of Cancer SDHA, SDHB, BRDT NPC1 3909/4885RAB9A 3104/4885KDM4E 1872/4885
US-20040049038-A1 Sulfamides as gamma-secretase inhibitors BACE1, BACE2, PSEN1 NPC1 2360/4885RAB9A 3262/4885KDM4E 3808/4885

“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.