SCHEMBL523863

SCHEMBL523863

Nc1n[nH]cc1C(=O)c1cccs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
ALDH1A1 P00352 4/20 0.49
ALOX15 P16050 3/20 0.49
HSD17B10 Q99714 3/20 0.49
PSMD14 O00487 1/20 0.49
MMP2 P08253 1/20 0.49
HPGD P15428 4/20 0.49
LMNA P02545 3/20 0.49
HTT P42858 1/20 0.49
CCNB2 O95067 1/20 0.46
CCNE2 O96020 1/20 0.46
CDK1 P06493 1/20 0.46
CCNB1 P14635 1/20 0.46
CCNE1 P24864 1/20 0.46
CDK2 P24941 1/20 0.46
CCNB3 Q8WWL7 1/20 0.46
HPGDS O60760 1/20 0.45
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL29463149 0.83 LMNA (0.50) MAPTALDH1A1ALOX15HSD17B10PSMD14
SCHEMBL5820913 0.75 POLB (0.42) MAPTALDH1A1ALOX15HSD17B10HPGD
SCHEMBL5821360 0.74 ALDH1A1 (0.49) MAPTALDH1A1ALOX15HSD17B10PSMD14
SCHEMBL3982930 0.73 MAPT (0.52) MAPTALDH1A1HSD17B10LMNACCNB2
SCHEMBL4414573 0.73 ALDH1A1 (0.50) MAPTALDH1A1ALOX15HSD17B10PSMD14
SCHEMBL4264795 0.73 NAPRT (0.54) MAPTALDH1A1ALOX15HSD17B10PSMD14
SCHEMBL9830883 0.72 KMT2A (0.44) ALDH1A1HSD17B10LMNACDK2KMT2A
SCHEMBL5811173 0.72 ALDH1A1 (0.50) MAPTALDH1A1HSD17B10LMNAHTT
SCHEMBL1318409 0.72 ALDH1A1 (0.49) MAPTALDH1A1ALOX15HSD17B10PSMD14
SCHEMBL8192196 0.72 MAPT (0.42) MAPTALDH1A1ALOX15HSD17B10PSMD14

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 74 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102675320-A Process for synthesizing indiplon serving as sedative hypnotic medicine suitable for industrial production INST PHARM & TOXICOLOGY AMMS 2012-09-19 CN claimed
EP-1713808-B1 TWO-PHASE METHOD FOR THE SYNTHESIS OF SELECTED PYRAZOLOPYRIMIDINES MALLINCKRODT INC (US) 2010-02-24 EP claimed
US-7498434-B2 Two-phase method for the synthesis of selected pyrazolopyrimidines MALLINCKRODT INC (US) 2009-03-03 US claimed
US-20070155995-A1 Two-phase method for the synthesis of selected pyrazolopyrimidines MALLINCKRODT INC, (US) 2007-07-05 US claimed
CN-1906197-A Two-phase method for the synthesis of selected pyrazolopyrimidines MALLINCKRODT INC (US) 2007-01-31 CN claimed
EP-1713808-A1 TWO-PHASE METHOD FOR THE SYNTHESIS OF SELECTED PYRAZOLOPYRIMIDINES MALLINCKRODT, INC. (US) 2006-10-25 EP claimed
WO-2005070931-A1 TWO-PHASE METHOD FOR THE SYNTHESIS OF SELECTED PYRAZOLOPYRIMIDINES MALLINCKRODT INC. (US) 2005-08-04 WO claimed
EP-0129846-B1 (3-AMINO-1H-PYRAZOL-4-YL)(ARYL)METHANONES AMERICAN CYANAMID COMPANY (US) 1991-05-08 EP claimed
US-4980472-A REACTING ACETONITRILE DERIVATIVE WITH AMINOGUANIDINE DERIVATIVE AMERICAN CYANAMID COMPANY (US) 1990-12-25 US claimed
US-4900836-A (3-amino-1H-pyrazol-4-yl) (aryl)methanones AMERICAN CYANAMID COMPANY (US) 1990-02-13 US claimed
EP-0129846-A2 (3-Amino-1H-pyrazol-4-yl)(aryl)methanones AMERICAN CYANAMID COMPANY (US) 1985-01-02 EP claimed
CN-102174048-B Novel polymorphic form beta of soporifics INST RADIATION MED AMMS PLA 2014-09-17 CN disclosed
CN-102180879-B Polycrystalline type alpha acetic acid solvate of hypnotic INST RADIATION MED AMMS PLA 2013-05-01 CN disclosed
CN-102675320-A Process for synthesizing indiplon serving as sedative hypnotic medicine suitable for industrial production INST PHARM & TOXICOLOGY AMMS 2012-09-19 CN disclosed
CN-101870700-B Method for synthesizing Indiplon UNIV PLA 3RD MILITARY MEDICAL 2012-05-23 CN disclosed
US-6399621-B1 SEDATIVE, HYPNOTIC, ANXIOLYTIC, ANTICONVULSANT, AND SKELETAL MUSCLE RELAXANT AGENT AMERICAN CYANAMID COMPANY 2002-06-04 US disclosed
EP-1206248-A2 CONTROLLED-RELEASE SEDATIVE-HYPNOTIC COMPOSITIONS AND METHODS RELATED THERETO Neurocrine Biosciences, Inc. (US) 2002-05-22 EP disclosed
US-6384221-B1 RECRYSTALLIZATION PURIFICATION NEUROCRINE BIOSCIENCES, INC. 2002-05-07 US disclosed
WO-2001015700-A1 POLYMORPHS OF N-METHYL-N-(3-{3-[2-THIENYLCARBONYL]-PYRAZOL-[1,5-α]-PYRIMIDIN -7-YL }PHENYL )ACETAMIDE AND COMPOSITIONS AND METHODS RELATED THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2001-03-08 WO disclosed
WO-2001013895-A2 CONTROLLED-RELEASE SEDATIVE-HYPNOTIC COMPOSITIONS AND METHODS RELATED THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2001-03-01 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 (1 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-20070155995-A1 Two-phase method for the synthesis of selected pyrazolopyrimidines AZI2, CDK2, TPMT MAPT 1611/4885ALDH1A1 1128/4885ALOX15 3287/4885

“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.