SCHEMBL1169872

SCHEMBL1169872

BrC1=NOC(c2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
TEAD1 P28347 7/20 0.51
PTPN1 P18031 5/20 0.46
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
KDM4E B2RXH2 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
AR P10275 1/20 0.37
CYP19A1 P11511 1/20 0.37
MAOB P27338 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PPARG P37231 2/20 0.36
PPARA Q07869 1/20 0.36
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
RET P07949 1/20 0.35

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
SCHEMBL12896348 1.00 TSHR (0.53) TSHRTEAD1PTPN1ALDH1A1HPGD
SCHEMBL12896347 1.00 TSHR (0.53) TSHRTEAD1PTPN1ALDH1A1HPGD
SCHEMBL12896387 0.89 TSHR (0.44) TSHRTEAD1PTPN1ALDH1A1HPGD
SCHEMBL12896386 0.89 TSHR (0.44) TSHRTEAD1PTPN1ALDH1A1HPGD
SCHEMBL12896392 0.86 TEAD1 (0.54) TSHRTEAD1PTPN1CYP19A1
SCHEMBL12896391 0.86 TEAD1 (0.54) TSHRTEAD1PTPN1CYP19A1
SCHEMBL12897055 0.84 TEAD1 (0.44) TSHRTEAD1PTPN1ALDH1A1HPGD
SCHEMBL12897050 0.84 TEAD1 (0.44) TSHRTEAD1PTPN1ALDH1A1HPGD
SCHEMBL12897747 0.82 TEAD1 (0.43) TSHRTEAD1PTPN1CYP19A1
SCHEMBL12897795 0.82 TEAD1 (0.43) TSHRTEAD1PTPN1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9149465-B2 Isoxazolines as inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2015-10-06 US disclosed
US-9149465-B2 Isoxazolines as inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2015-10-06 US disclosed
US-20120122679-A1 MESOIONIC PESTICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-05-17 US disclosed
EP-2300484-B1 NOVEL CLASS OF SPIRO PIPERIDINES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES PFIZER (US) 2011-12-14 EP disclosed
EP-2300484-B1 NOVEL CLASS OF SPIRO PIPERIDINES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES PFIZER (US) 2011-12-14 EP disclosed
EP-2300484-A1 NOVEL CLASS OF SPIRO PIPERIDINES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES Pfizer Inc. (US) 2011-03-30 EP disclosed
US-20110046160-A1 Novel Class of Spiro Piperidines for the Treatment of Neurodegenerative Diseases PFIZER, INC. 2011-02-24 US disclosed
US-20110046160-A1 Novel Class of Spiro Piperidines for the Treatment of Neurodegenerative Diseases PFIZER, INC. 2011-02-24 US disclosed
US-20110046160-A1 Novel Class of Spiro Piperidines for the Treatment of Neurodegenerative Diseases PFIZER, INC. 2011-02-24 US disclosed
WO-2011017334-A2 MESOIONIC PESTICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-02-10 WO disclosed
US-20110028478-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2011-02-03 US disclosed
US-20110028478-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2011-02-03 US disclosed
WO-2009136350-A1 NOVEL CLASS OF SPIRO PIPERIDINES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES PFIZER INC. (US) 2009-11-12 WO disclosed
WO-2009136350-A1 NOVEL CLASS OF SPIRO PIPERIDINES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES PFIZER INC. (US) 2009-11-12 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 (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-20110028478-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, HRH2 TSHR 1401/4885TEAD1 2965/4885PTPN1 3150/4885
US-20120122679-A1 MESOIONIC PESTICIDES CHRM2, CHRM5, CHRM1 TSHR 440/4885TEAD1 4521/4885PTPN1 218/4885
US-20110046160-A1 Novel Class of Spiro Piperidines for the Treatment of Neurodegenerative Diseases SNCA, PARK7, HTT TSHR 2618/4885TEAD1 831/4885PTPN1 2952/4885

“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.