SCHEMBL1218698

SCHEMBL1218698

CCOc1ccccc1C(=O)N1CCN(c2cccc(Cl)c2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 1.00
LMNA P02545 3/20 1.00
NPSR1 Q6W5P4 3/20 1.00
RAB9A P51151 1/20 1.00
SMN1; SMN2 Q16637 1/20 1.00
ALOX15 P16050 2/20 0.77
NPC1 O15118 1/20 0.77
MAPT P10636 1/20 0.67
ALDH1A1 P00352 2/20 0.65
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
MAPK1 P28482 1/20 0.63
HTT P42858 1/20 0.63
HTR1A P08908 1/20 0.62
HTR7 P34969 1/20 0.62
NOD2 Q9HC29 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
SCHEMBL31237176 0.91 NPSR1 (0.83) TSHRLMNANPSR1RAB9ASMN1; SMN2
SCHEMBL16217105 0.87 TSHR (1.00) TSHRLMNANPSR1RAB9ASMN1; SMN2
SCHEMBL11715064 0.83 NPSR1 (0.81) TSHRLMNANPSR1RAB9ASMN1; SMN2
SCHEMBL20965403 0.80 L3MBTL1 (0.78) TSHRLMNANPSR1RAB9ASMN1; SMN2
SCHEMBL12835479 0.79 ALDH1A1 (1.00) TSHRLMNANPSR1RAB9ASMN1; SMN2
SCHEMBL17502633 0.78 NPSR1 (0.76) TSHRLMNANPSR1RAB9ASMN1; SMN2
SCHEMBL14758418 0.77 TSHR (0.82) TSHRLMNANPSR1RAB9ASMN1; SMN2
SCHEMBL18051872 0.77 NPSR1 (0.74) TSHRLMNANPSR1RAB9ASMN1; SMN2
SCHEMBL1520673 0.75 NPSR1 (1.00) TSHRLMNANPSR1RAB9ASMN1; SMN2
SCHEMBL9857776 0.75 NPSR1 (0.71) TSHRLMNANPSR1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110104186-A1 Small molecule immunopotentiators and assays for their detection NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2011-05-05 US disclosed
US-20110104186-A1 Small molecule immunopotentiators and assays for their detection NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2011-05-05 US disclosed
US-20110104186-A1 Small molecule immunopotentiators and assays for their detection NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2011-05-05 US disclosed
US-7893096-B2 For example, N-methyl-4-[(2-{[2-(1-methylethyl)phenyl]amino}-1 H-benzimidazol-5-yl)oxy]pyridine-2-carboxamide; administering the compounds alone or in combination with another agent for the treatment of cancer, infectious diseases and/or allergies/asthma NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-02-22 US disclosed
US-7893096-B2 For example, N-methyl-4-[(2-{[2-(1-methylethyl)phenyl]amino}-1 H-benzimidazol-5-yl)oxy]pyridine-2-carboxamide; administering the compounds alone or in combination with another agent for the treatment of cancer, infectious diseases and/or allergies/asthma NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-02-22 US disclosed
US-7893096-B2 For example, N-methyl-4-[(2-{[2-(1-methylethyl)phenyl]amino}-1 H-benzimidazol-5-yl)oxy]pyridine-2-carboxamide; administering the compounds alone or in combination with another agent for the treatment of cancer, infectious diseases and/or allergies/asthma NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-02-22 US disclosed
EP-2258365-A1 Use of organic compounds for immunopotentiation Novartis Vaccines and Diagnostics, Inc. (US) 2010-12-08 EP disclosed
US-20060257852-A1 Severe acute respiratory syndrome coronavirus CHIRON CORPORATION (US) 2006-11-16 US disclosed
US-20050136065-A1 Use of small molecule compounds for immunopotentiation CHIRON CORPORATION (US) 2005-06-23 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 (3 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-20060257852-A1 Severe acute respiratory syndrome coronavirus SARS1, ACE2, ACE TSHR 4432/4885LMNA 2336/4885NPSR1 2040/4885
US-20050136065-A1 Use of small molecule compounds for immunopotentiation ICOS, CD14, LCP2 TSHR 3732/4885LMNA 4862/4885NPSR1 3843/4885
US-20110104186-A1 Small molecule immunopotentiators and assays for their detection ICOS, CD14, MAVS TSHR 3916/4885LMNA 4870/4885NPSR1 4284/4885

“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.