SCHEMBL1018309

SCHEMBL1018309

N#CC1(c2ccccc2F)CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
ALDH1A1 P00352 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
HDAC4 P56524 2/20 0.45
PSEN1 P49768 2/20 0.42
PSEN2 P49810 2/20 0.42
APH1B Q8WW43 2/20 0.42
NCSTN Q92542 2/20 0.42
APH1A Q96BI3 2/20 0.42
PSENEN Q9NZ42 2/20 0.42
HSD11B1 P28845 2/20 0.38
HSD11B2 P80365 1/20 0.38
PDE7A Q13946 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL1020368 0.98 NPC1 (0.48) NPC1ALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL625354 0.94 NPC1 (0.44) NPC1ALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL30929543 0.90 HDAC4 (0.41) NPC1ALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL1769351 0.90 HDAC4 (0.41) NPC1ALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL5138689 0.87 HDAC4 (0.46) NPC1ALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL30338086 0.81 OPRM1 (0.37) NPC1ALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL4006359 0.81 ALDH1A1 (0.37) NPC1ALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL18742752 0.81 HDAC4 (0.44) NPC1ALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL615034 0.81 OPRM1 (0.37) NPC1ALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL10389492 0.81 ALDH1A1 (0.41) NPC1ALDH1A1RAB9ASMN1; SMN2LMNA

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
US-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 US disclosed
US-8431590-B2 Spiroindolines as modulators of chemokine receptors GLAXO GROUP LIMITED (GB) 2013-04-30 US disclosed
US-7960556-B2 Thiadiazole derivatives for the treatment of neuro-degenerative diseases NV REMYND (BE) 2011-06-14 US disclosed
US-20110034499-A1 SPIROINDOLINES AS MODULATORS OF CHEMOKINE RECEPTORS GLAXO GROUP LIMITED (GB) 2011-02-10 US disclosed
EP-2094677-B1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES REMYND NV (BE) 2011-01-12 EP disclosed
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2010-10-14 US disclosed
EP-1981504-B1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES REMYND NV (BE) 2010-07-21 EP disclosed
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2010-06-10 US disclosed
US-7595338-B2 Process for preparing 3,3-disubstituted oxindoles and thio-oxindoles WYETH (US) 2009-09-29 US disclosed
US-7595338-B2 Process for preparing 3,3-disubstituted oxindoles and thio-oxindoles WYETH (US) 2009-09-29 US disclosed
US-7595338-B2 Process for preparing 3,3-disubstituted oxindoles and thio-oxindoles WYETH (US) 2009-09-29 US disclosed
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-09-17 US disclosed
EP-2094677-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV Remynd (BE) 2009-09-02 EP disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 US disclosed
WO-2008061781-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2008-05-29 WO disclosed
EP-1877377-A2 PROCESS FOR PREPARING 3,3-DISUBSTITUTED OXINDOLES AND THIO-OXINDOLES Wyeth (US) 2008-01-16 EP disclosed
WO-2006118955-A2 PROCESS FOR PREPARING 3,3-DISUBSTITUTED OXINDOLES AND THIO-OXINDOLES WYETH (US) 2006-11-09 WO disclosed
US-20060247441-A1 Process for preparing 3,3-disubstituted oxindoles and thio-oxindoles WYETH (US) 2006-11-02 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 (6 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-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 NPC1 77/4885ALDH1A1 1930/4885RAB9A 2845/4885
US-20060247441-A1 Process for preparing 3,3-disubstituted oxindoles and thio-oxindoles TPMT, TH, HTR3C NPC1 4132/4885ALDH1A1 1493/4885RAB9A 2231/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 NPC1 77/4885ALDH1A1 1930/4885RAB9A 2845/4885
US-20110034499-A1 SPIROINDOLINES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CCR10, CXCR2 NPC1 620/4885ALDH1A1 1311/4885RAB9A 1738/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 NPC1 77/4885ALDH1A1 1930/4885RAB9A 2845/4885
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES SNCA, PARK7, PRNP NPC1 777/4885ALDH1A1 608/4885RAB9A 1244/4885

“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.